data_1pjz_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 1pjz _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 ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.26 84.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.3 p -131.66 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' O ' ' A' ' 5' ' ' VAL . 3.9 m120 34.32 95.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -43.05 -40.79 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -63.26 -48.84 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.66 HD21 ' CD1' ' A' ' 13' ' ' TRP . 1.6 tm? -51.47 -64.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' SER . 4.4 pp0? -57.73 -26.59 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -73.3 -74.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 197' ' ' VAL . 17.0 m-85 -43.86 -51.45 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.726 ' CH2' HD12 ' A' ' 38' ' ' LEU . 13.1 m95 -58.25 -55.82 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.6 t -43.04 -34.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -89.05 -55.93 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -37.97 -63.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 51.9 t30 70.99 47.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 19' ' ' VAL . 69.8 t -48.3 167.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.613 ' CG1' ' CB ' ' A' ' 22' ' ' ALA . 10.9 p -58.98 143.41 83.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.565 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.07 96.68 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 0.46 13.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.747 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -52.37 156.92 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.746 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 13.1 mmt85 -80.74 114.0 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.527 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 39.4 t -104.2 112.89 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 1.3 tp -90.59 150.84 21.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.672 ' CG1' ' O ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -132.76 81.07 59.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.69 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.2 Cg_endo -74.97 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER 30.83 38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.578 ' SG ' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -115.64 -21.84 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -28.73 106.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -118.25 -79.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 164.53 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.99 -45.86 63.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' OD1' ' CG ' ' A' ' 104' ' ' TYR . 1.1 t70 -54.43 -58.64 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 36' ' ' SER . 2.4 ppp? -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 32' ' ' SER . 30.1 m -54.73 -28.15 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 13' ' ' TRP . 49.6 t90 -75.72 -57.0 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.726 HD12 ' CH2' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -47.63 -54.21 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -57.61 -50.63 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.35 -21.79 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -91.47 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 65.03 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.581 ' CE2' ' HZ3' ' A' ' 13' ' ' TRP . 11.1 m-85 -133.93 163.57 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.92 85.25 6.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.426 ' CG1' HD12 ' A' ' 82' ' ' ILE . 88.4 t -80.97 103.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.457 ' HB ' ' CB ' ' A' ' 83' ' ' GLU . 1.2 p -134.87 112.6 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -155.62 -172.81 23.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.629 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -128.99 159.21 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -114.84 95.97 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.633 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.04 64.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.608 ' N ' ' O ' ' A' ' 49' ' ' GLU . 47.0 t -152.85 107.16 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HA ' HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -70.42 -59.67 2.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.93 -33.32 17.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -62.52 -58.35 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.648 HG21 ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -47.59 -42.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 55' ' ' VAL . 13.5 mt-10 -60.89 -44.01 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -60.96 -33.29 72.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 m-30 -75.19 -34.22 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.648 ' CE2' HG21 ' A' ' 55' ' ' VAL . 5.0 m-30 -75.7 -25.5 56.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -34.55 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.31 -39.93 59.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -90.5 -34.48 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.7 38.63 23.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.964 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.9 mt-10 75.64 151.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 161.89 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.96 -175.69 2.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.27 101.1 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.555 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 18.9 mm -95.37 126.0 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.495 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.31 150.13 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.5 p -106.72 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.54 85.32 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.38 -111.81 4.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.43 -7.59 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 5.5 m-85 -108.55 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.677 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 4.5 mttt -125.33 170.94 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 69' ' ' THR . 91.4 t -143.47 96.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -105.75 100.97 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -100.08 150.46 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -117.01 159.48 40.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.05 12.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.7 -54.24 5.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -121.04 165.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.457 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -100.55 49.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -105.98 117.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.748 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.63 104.53 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -68.25 130.93 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.677 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 141.55 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.607 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -118.83 163.95 16.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.794 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -128.93 105.91 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.416 ' H ' ' HH2' ' A' ' 85' ' ' TRP . 0.5 OUTLIER 176.2 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.16 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.71 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -137.36 -1.17 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 44.62 82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.573 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . . . -57.46 -12.64 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.488 ' HG2' ' CG2' ' A' ' 93' ' ' THR . 20.7 ptt180 -80.02 -47.91 14.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 52.2 m-20 -63.82 -49.03 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.519 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 0.3 OUTLIER -71.77 -43.17 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -55.34 -77.24 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.708 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.53 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.763 . . . . 0.0 109.564 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.679 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 31.3 p -146.64 136.76 23.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.747 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.42 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.643 ' CB ' ' O ' ' A' ' 133' ' ' SER . . . -176.5 179.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.789 ' CE1' ' HA3' ' A' ' 134' ' ' GLY . 3.1 p90 -162.42 132.7 4.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.69 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 23.7 t80 -92.08 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.484 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t0 -101.26 129.23 47.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 107' ' ' ALA . 15.8 ttm180 -103.26 148.54 25.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 139' ' ' LEU . . . -41.62 104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.515 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -130.68 -48.29 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.602 ' HE2' ' CE1' ' A' ' 120' ' ' TYR . 0.2 OUTLIER -65.51 -25.55 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.514 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -69.26 -18.12 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.19 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -108.35 174.31 2.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.0 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -71.95 -64.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 m-20 -39.55 -60.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.486 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 21.3 tpp -55.93 -37.93 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.722 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 5.1 mtp180 -59.33 -47.3 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.5 ' CG ' HG23 ' A' ' 161' ' ' VAL . 3.1 mt-10 -63.06 -39.96 96.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 1.8 mmt180 -70.47 -25.87 63.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.602 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 8.7 t80 -75.98 -56.34 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.485 ' HB ' ' CG ' ' A' ' 162' ' ' MET . 1.5 m -57.49 -44.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.531 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 9.0 pt20 -63.99 -45.77 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 0.9 OUTLIER -60.0 -37.67 80.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.18 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -51.68 -22.13 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.66 -51.18 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.628 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -86.54 -0.92 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.625 ' CE ' ' CD2' ' A' ' 25' ' ' LEU . 4.6 mmt -65.66 173.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.708 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.0 Cg_endo -75.05 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 201' ' ' VAL . 42.5 mm-40 -109.23 -39.12 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.654 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -144.38 91.7 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.531 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -148.53 154.8 40.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.643 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -99.47 109.94 22.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.789 ' HA3' ' CE1' ' A' ' 103' ' ' PHE . . . -98.17 141.94 15.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.521 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -129.51 113.98 15.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.47 HD12 ' CE ' ' A' ' 162' ' ' MET . 0.6 OUTLIER -91.61 139.82 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 6' ' ' ASN . 45.4 mm -122.78 101.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 24.8 p -105.37 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.53 ' CD1' ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -146.7 169.06 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 tm-20 -127.64 -78.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 3.2 m-85 -27.92 -85.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.571 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -27.02 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 1.2 pp0? 174.56 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -124.99 47.91 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.565 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -179.89 -31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.5 OUTLIER -87.56 152.99 21.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.62 102.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.18 1.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 114.36 4.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.71 23.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.484 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -87.62 23.03 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.1 p 32.62 47.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 152' ' ' SER . 6.3 p -35.2 121.49 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.485 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.01 132.45 15.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.436 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 7.4 tm0? -50.06 -38.43 38.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -56.78 -44.23 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.722 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 27.5 t90 -63.32 -45.81 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.632 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -57.35 -41.16 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.3 t-80 -76.97 -17.32 58.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.753 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.82 -37.38 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.753 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.19 -58.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.65 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.65 6.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.647 ' H ' ' C ' ' A' ' 161' ' ' VAL . 30.1 t -104.34 103.47 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.44 55.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.1 m120 151.31 -21.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.65 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.71 133.62 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 107.968 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -81.1 93.96 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 197' ' ' VAL . 5.5 m -84.02 135.31 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.527 ' CG2' HG11 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -134.6 142.87 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 137.75 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -165.47 166.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.54 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 90.67 -160.46 27.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 168.9 -160.93 34.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 4.3 pt20 -111.92 -173.92 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 t70 71.09 11.64 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.482 ' OG1' ' CB ' ' A' ' 179' ' ' SER . 1.4 t -115.4 74.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 177' ' ' LEU . 1.4 tm? -86.82 -39.48 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -63.43 -44.22 95.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.482 ' CB ' ' OG1' ' A' ' 176' ' ' THR . 0.9 OUTLIER -54.42 -68.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.965 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 120.12 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 184' ' ' LEU . . . -69.37 -48.8 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -45.77 -26.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -68.21 -39.67 88.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 177' ' ' LEU . 0.3 OUTLIER -85.89 -15.28 42.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -49.82 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.494 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -83.93 -38.32 21.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 100.52 67.24 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.565 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 2.4 mm? -89.3 -33.49 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.6 pt-20 51.07 20.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.6 OUTLIER 148.47 100.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 4.6 ptt? -152.19 150.19 29.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 16.4 t0 -81.96 123.01 28.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' A' ' 173' ' ' GLY . 42.6 tt0 -110.22 114.67 28.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -92.11 151.08 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.622 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 41.0 t -140.43 150.26 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 20.8 m-85 -145.04 119.24 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.545 ' CG1' ' O ' ' A' ' 197' ' ' VAL . 0.3 OUTLIER -83.78 111.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.587 ' CD2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -112.45 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -87.61 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -65.78 106.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.522 ' N ' HH11 ' A' ' 200' ' ' ARG . 30.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.44 84.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.5 p -131.67 78.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 5' ' ' VAL . 5.1 m120 34.07 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -44.81 -40.35 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -62.54 -45.48 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 2.9 tm? -56.67 -65.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.06 -23.56 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' SER . 13.6 tp60 -73.27 -81.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.423 ' HE2' ' CG2' ' A' ' 171' ' ' VAL . 45.1 m-85 -44.08 -37.53 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 2.0 t-105 -70.15 -41.67 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.3 m -57.38 -36.54 71.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -45.63 10.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mt -43.42 -51.24 6.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 49.4 t30 70.6 36.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 19' ' ' VAL . 56.1 t -41.92 130.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -34.87 144.46 0.21 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.504 ' N ' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 96.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.18 10.9 10.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.793 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -61.9 157.79 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.707 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 15.4 mmt85 -82.12 117.36 22.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.628 ' CG2' ' HA ' ' A' ' 45' ' ' VAL . 19.6 m -105.35 111.14 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' ' 26' ' ' VAL . 1.5 tm? -97.14 138.28 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.57 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 30.8 m -137.41 105.45 8.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 143.42 29.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 22.48 52.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' PRO . 50.7 t -138.41 33.34 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . -65.06 112.15 4.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER 87.97 110.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.93 161.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -58.8 -41.66 87.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -52.51 -57.97 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.448 ' CG ' HG12 ' A' ' 45' ' ' VAL . 2.0 tmm? -53.15 -60.08 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -49.29 -33.45 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -72.84 -36.38 67.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.001 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' MET . 86.3 mt -67.12 -66.85 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -37.76 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -24.27 76.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -84.53 -38.72 19.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.12 64.15 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -136.22 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.562 ' O ' HG23 ' A' ' 24' ' ' VAL . 20.8 m-70 -93.76 80.13 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.628 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 81.2 t -70.62 110.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 83' ' ' GLU . 1.5 p -141.32 104.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.762 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -142.0 -172.55 13.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.616 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -131.71 164.08 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' GLY . 2.6 tm-20 -125.39 128.81 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -96.34 72.5 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 68.4 m -152.27 131.36 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -98.37 -44.46 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.27 90.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.76 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.683 HG11 ' CE2' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -64.22 -56.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' N ' HG13 ' A' ' 55' ' ' VAL . 7.2 mm-40 -60.19 -40.99 91.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -37.37 87.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -63.51 -46.15 87.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.683 ' CE2' HG11 ' A' ' 55' ' ' VAL . 4.1 m-30 -68.03 -31.17 70.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -36.78 59.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.64 -43.25 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -75.75 -35.38 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.66 38.26 17.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.1 mt-10 69.91 151.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 159.9 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 179.29 6.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.29 107.14 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.472 ' CG2' ' HD3' ' A' ' 75' ' ' LYS . 18.4 mm -97.67 128.12 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.444 ' CG2' HG12 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -130.38 158.28 40.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -123.21 109.2 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 1.2 pp0? -103.17 105.48 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.57 -106.14 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.6 33.01 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 19.7 m-85 -144.11 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.526 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -126.16 160.68 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG21 ' CB ' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.73 107.85 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.667 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -104.02 101.72 11.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.69 149.05 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -120.25 159.19 48.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.68 16.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.96 -52.22 5.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -124.91 168.23 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -103.94 53.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -109.37 118.42 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.762 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -102.91 100.21 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 3.9 t -70.52 142.38 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 134.0 -99.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.646 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 12.6 t70 -129.69 163.84 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 7.6 t80 -119.47 102.93 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 165.09 52.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.33 -41.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.774 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.27 178.13 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.47 ' C ' ' N ' ' A' ' 95' ' ' ARG . 51.8 m -122.64 85.51 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -51.96 -15.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.2 ttt85 -73.49 -48.53 32.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -46.23 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.524 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -63.91 -47.03 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -59.74 -72.42 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.691 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 57.9 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.568 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.693 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 96.6 m -139.99 136.43 33.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.793 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 146.58 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.575 ' N ' ' HB2' ' A' ' 132' ' ' CYS . . . -169.57 -176.67 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -162.3 128.43 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.624 ' CE1' HD11 ' A' ' 137' ' ' ILE . 7.1 t80 -95.69 121.17 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.72 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -101.64 139.3 37.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 3.1 ttm180 -108.8 158.68 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.513 ' N ' ' CG ' ' A' ' 106' ' ' ARG . . . -52.86 99.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.464 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -132.89 -52.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.501 ' CE ' HD13 ' A' ' 136' ' ' LEU . 14.6 ptp -63.79 -32.86 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.496 ' CG2' HG21 ' A' ' 138' ' ' THR . 0.1 OUTLIER -58.47 -15.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.14 -59.18 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.64 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.96 169.68 1.46 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.62 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.02 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -51.83 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' ALA . 8.1 t0 -38.59 -52.31 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.64 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 30.6 tpp -62.2 -41.37 98.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.586 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 47.0 mtm180 -56.67 -42.33 78.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 2.9 mt-10 -66.25 -45.14 81.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -67.49 -22.78 65.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -76.48 -50.27 14.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 122' ' ' GLN . 1.5 m -61.68 -46.04 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 2.5 pt20 -61.63 -48.91 78.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.494 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 11.5 m170 -57.21 -38.73 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.69 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.503 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.5 OUTLIER -52.05 -19.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.67 -59.21 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.624 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -85.17 9.51 14.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.67 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.1 mmt -75.69 175.44 4.17 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.691 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -74.97 -167.18 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -46.62 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.617 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.9 101.33 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.598 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -153.9 160.78 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.453 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.81 107.88 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -86.54 144.67 19.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.518 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -141.52 98.72 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.603 ' CD1' ' HB2' ' A' ' 105' ' ' ASP . 2.1 tp -84.81 140.0 31.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.624 HD11 ' CE1' ' A' ' 104' ' ' TYR . 3.9 mp -118.92 114.79 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.532 ' CG2' HD23 ' A' ' 136' ' ' LEU . 36.9 p -117.07 170.86 8.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.557 ' CB ' ' OD2' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -132.76 167.95 19.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.3 mt-10 -123.38 -94.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.593 ' O ' ' C ' ' A' ' 142' ' ' ASP . 0.4 OUTLIER -22.25 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.594 ' OD1' ' N ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -24.76 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 144' ' ' ALA . 1.6 pt20 178.35 -29.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.71 49.78 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.42 -30.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 147' ' ' GLU . 0.3 OUTLIER -93.03 126.81 38.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.494 ' N ' ' CD1' ' A' ' 146' ' ' LEU . 21.6 mt-10 -42.51 107.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.76 118.3 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.437 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -88.23 25.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.9 p 31.07 44.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.482 HG11 ' CG2' ' A' ' 110' ' ' ILE . 9.9 p -36.86 122.43 0.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 164.81 32.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 16.5 tm0? -77.89 -32.69 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.2 t -63.41 -38.6 91.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.608 ' O ' ' HG2' ' A' ' 160' ' ' ARG . 73.6 t90 -63.72 -52.96 58.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.661 ' O ' ' CB ' ' A' ' 162' ' ' MET . 2.4 mt -54.65 -35.43 63.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.657 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.5 t60 -78.09 -21.14 50.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -83.1 -34.32 26.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.67 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.55 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.771 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.7 6.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.67 ' H ' ' C ' ' A' ' 161' ' ' VAL . 22.9 t -104.0 100.75 10.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.591 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 165.96 45.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 3.1 m-20 149.17 -15.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 128.17 15.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.527 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 42.3 mm-40 -84.13 94.01 8.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 m -70.92 130.86 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -120.96 149.38 42.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.442 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.622 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -165.0 171.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 110.63 -173.19 15.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.06 156.46 27.23 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -103.83 166.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.74 21.34 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 176' ' ' THR . 15.4 t -107.67 74.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 188' ' ' LEU . 2.5 tm? -65.5 -45.11 84.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 178' ' ' HIS . 2.6 p80 -76.91 61.92 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -161.08 -43.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 43.9 t -90.33 126.16 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.97 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.414 ' HG2' ' NH2' ' A' ' 106' ' ' ARG . 5.1 mtp180 -53.33 -19.29 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.404 ' HA2' HD22 ' A' ' 188' ' ' LEU . . . -73.02 -42.03 45.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 177' ' ' LEU . 0.9 OUTLIER -86.01 -14.36 44.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -51.48 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 146' ' ' LEU . . . -84.28 -34.83 23.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.3 64.47 0.98 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.548 ' CD1' ' HB3' ' A' ' 142' ' ' ASP . 2.5 mm? -81.7 -37.46 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 54.17 15.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 1.7 mtt180 158.39 102.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.415 ' SD ' ' OD1' ' A' ' 142' ' ' ASP . 2.0 ptt? -163.34 155.02 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.447 ' OD2' ' CD ' ' A' ' 140' ' ' GLU . 12.1 t0 -85.88 129.49 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 173' ' ' GLY . 22.4 tt0 -113.01 114.63 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.473 ' CE1' ' OE2' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -96.67 155.19 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 24.3 t -147.49 158.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 158' ' ' LEU . 23.5 m-85 -145.12 130.07 18.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 169' ' ' THR . 55.9 t -99.37 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -100.58 106.53 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.9 tt0 -76.17 104.15 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.598 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -69.79 101.73 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 10.5 pt-20 -140.49 84.63 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 6' ' ' ASN . 2.7 p -131.7 133.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' VAL . 38.2 t30 -33.44 108.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -46.71 -33.48 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' TYR . 2.6 m-20 -67.72 -53.12 30.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 2.0 tm? -49.93 -63.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.06 -31.46 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 8.5 tt0 -75.29 -75.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ASP . 35.0 m-85 -43.44 -41.47 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.643 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 1.8 t-105 -70.29 -42.99 71.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.4 m -54.74 -30.1 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.82 -51.87 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -38.48 -51.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.7 t-20 65.31 53.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' CB ' ' A' ' 22' ' ' ALA . 73.1 t -59.71 142.83 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' N ' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -38.43 151.25 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 104.03 -3.5 44.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.779 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -37.64 154.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.694 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 5.7 mmt85 -82.45 120.46 25.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 102' ' ' ALA . 22.2 t -107.16 114.04 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.523 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 1.8 tm? -96.58 141.12 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 29' ' ' CYS . 5.8 t -136.37 100.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.581 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.06 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.691 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 23.98 90.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 29.1 t -141.08 -35.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.06 -100.04 2.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 145.86 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -169.93 -178.41 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -55.73 -23.76 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -60.07 -58.34 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.423 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 3.4 mtm -63.8 -45.02 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -26.13 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -75.98 -48.32 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.624 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -52.11 -56.39 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.03 -47.0 86.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.74 -20.72 3.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -98.78 -23.93 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 101.32 59.17 0.8 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.437 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 12.5 m-85 -129.85 166.91 19.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.03 94.01 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.9 97.09 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 1.4 t -114.98 132.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -160.27 163.94 34.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' A' ' 85' ' ' TRP . . . -129.03 153.03 47.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -117.77 116.64 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.684 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -90.44 69.1 6.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.7 p -151.96 135.93 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -97.75 -46.55 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.95 97.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.11 75.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -63.49 -53.21 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 55' ' ' VAL . 2.9 mm-40 -61.0 -42.19 97.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -64.62 -35.33 80.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -65.9 -45.02 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 5.0 m-30 -69.11 -31.68 70.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -37.96 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.08 -43.3 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -75.41 -37.13 60.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.12 29.82 30.04 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.3 mt-10 76.03 151.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.91 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.554 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.98 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 111.16 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.566 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 2.6 mm -106.1 133.71 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.53 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -130.65 153.54 48.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -108.41 99.36 8.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 2.3 mm-40 -88.54 85.19 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.51 -98.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.58 30.83 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.363 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 10.7 m-85 -145.36 173.14 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.529 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 9.2 tttt -131.09 158.23 40.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.53 ' CG1' HG21 ' A' ' 69' ' ' THR . 0.1 OUTLIER -142.15 110.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -111.06 101.75 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -102.19 146.81 27.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -115.99 155.82 47.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.51 21.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.58 -52.4 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.462 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -123.08 172.06 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 46' ' ' VAL . 3.2 tt0 -104.6 51.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.525 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -109.42 128.47 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.624 ' CZ2' ' HB3' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -113.49 106.78 14.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 4.9 t -74.38 145.13 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.544 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 129.32 -98.19 0.43 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -131.46 163.52 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -117.57 91.1 3.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.48 56.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . 179.1 39.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.624 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -136.82 -30.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.536 ' N ' HD11 ' A' ' 92' ' ' LEU . 0.8 OUTLIER 71.59 78.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.495 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . . . -54.67 -18.06 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.94 -47.66 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 95' ' ' ARG . 12.7 t0 -60.3 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.53 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -68.61 -49.63 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -44.89 -74.02 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.764 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 26.1 t-80 52.28 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.682 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 71.2 m -138.49 135.47 35.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.779 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.12 -109.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.643 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -172.4 -172.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 2.5 p90 -166.11 143.35 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.562 ' CZ ' HG13 ' A' ' 137' ' ' ILE . 26.2 t80 -106.73 119.19 38.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' CB ' ' HG ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -105.97 140.33 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 182' ' ' ARG . 8.3 tmm_? -110.07 170.46 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.469 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -60.95 101.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.09 -48.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.505 ' O ' ' CG ' ' A' ' 117' ' ' ARG . 0.5 OUTLIER -66.39 -22.5 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.505 HG13 ' CD1' ' A' ' 139' ' ' LEU . 0.2 OUTLIER -70.78 -18.07 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.02 46.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.572 HD21 ' CG ' ' A' ' 116' ' ' MET . 4.1 mp -110.85 165.99 11.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 0.9 OUTLIER -39.93 -60.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.572 ' CG ' HD21 ' A' ' 112' ' ' LEU . 8.8 tpp -57.89 -44.57 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.711 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 8.9 mtp180 -52.29 -41.55 63.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 3.3 mt-10 -71.46 -37.05 71.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -69.79 -23.35 63.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 120' ' ' TYR . 6.0 t80 -81.04 -53.52 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.531 HG21 ' N ' ' A' ' 122' ' ' GLN . 7.9 m -62.27 -32.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.532 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.7 pt20 -76.04 -48.36 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 7.3 m-70 -58.25 -35.81 72.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.5 OUTLIER -69.76 -64.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.545 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.2 OUTLIER -49.85 -22.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.42 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.649 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -81.53 3.12 26.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.633 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.9 mmt -71.15 174.45 3.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.764 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.02 -156.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.3 OUTLIER -117.96 -36.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.65 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.32 86.81 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 129' ' ' PRO . 10.5 m -151.59 145.13 24.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -92.12 123.37 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.714 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -101.25 142.95 15.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.559 HD22 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -130.1 100.06 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -86.34 136.35 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.562 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 8.0 mm -123.9 110.19 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.452 HG21 ' CG2' ' A' ' 110' ' ' ILE . 11.8 p -110.52 178.47 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.539 ' CD2' ' CG ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -139.44 168.5 19.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -132.04 -85.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.507 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -28.89 -73.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -35.04 142.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER 164.25 -25.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -111.93 36.86 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.56 -30.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 146' ' ' LEU . 0.1 OUTLIER -76.25 119.3 19.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.486 ' N ' HD13 ' A' ' 146' ' ' LEU . 20.4 mm-40 -39.63 107.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.511 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 89.03 128.49 3.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.528 ' CG ' HD23 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.99 149.95 37.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -101.9 23.0 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 151' ' ' PHE . 23.4 p 29.98 51.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 152' ' ' SER . 9.8 p -34.94 123.19 0.57 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -74.97 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.494 ' HG3' ' CD2' ' A' ' 196' ' ' TYR . 1.5 mp0 -36.69 -48.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -47.38 -42.08 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.711 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.5 t90 -59.76 -46.02 90.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -55.49 -45.0 77.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' A' ' 163' ' ' SER . 70.4 t60 -73.35 -17.32 61.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -81.98 -38.33 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.669 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.18 -56.85 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.741 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.9 6.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.666 ' H ' ' C ' ' A' ' 161' ' ' VAL . 9.1 t -108.13 100.02 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 165' ' ' ASN . . . 159.94 47.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.671 ' OD1' ' CD1' ' A' ' 166' ' ' TRP . 7.1 p30 154.75 -18.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.741 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.56 125.0 13.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.0 mt-10 -75.61 91.64 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.601 HG21 ' CZ ' ' A' ' 196' ' ' TYR . 4.1 m -71.46 128.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.576 ' C ' ' CD1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -121.34 120.98 36.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -57.11 143.83 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -174.58 166.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 96.18 -157.0 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 165.82 -133.09 2.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 21.5 pt20 -131.03 175.68 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 4.5 m-20 78.34 0.59 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.473 ' O ' ' CG2' ' A' ' 176' ' ' THR . 12.5 t -116.47 74.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.64 -38.54 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -57.55 -23.53 51.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -55.41 -61.4 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.2 p -76.02 149.6 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -85.84 -49.59 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 27.7 mmt-85 -39.8 -29.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.485 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -68.35 -63.91 3.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.01 -18.51 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -39.58 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 146' ' ' LEU . . . -82.93 -39.75 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 102.83 58.58 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.542 HD11 HD21 ' A' ' 145' ' ' LEU . 2.7 mm? -84.93 -52.66 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.462 ' C ' ' HG2' ' A' ' 190' ' ' ARG . 13.3 mm-40 67.98 5.02 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HG2' ' C ' ' A' ' 189' ' ' GLU . 5.9 ptm180 162.46 115.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.461 ' SD ' ' CG ' ' A' ' 142' ' ' ASP . 0.3 OUTLIER -166.47 155.19 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.419 ' CG ' ' HB3' ' A' ' 174' ' ' GLN . 1.9 m-20 -74.61 123.61 25.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 173' ' ' GLY . 18.6 tt0 -118.62 122.19 41.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.408 ' O ' HG22 ' A' ' 195' ' ' VAL . 6.1 m80 -92.75 150.92 20.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.618 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.559 ' CG1' HD22 ' A' ' 135' ' ' LEU . 44.4 t -138.56 149.28 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.601 ' CZ ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -149.2 114.58 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.47 HG22 ' CE1' ' A' ' 12' ' ' TYR . 61.8 t -87.53 97.23 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.599 HD13 ' CE3' ' A' ' 166' ' ' TRP . 0.2 OUTLIER -98.57 107.55 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.99 101.8 6.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.476 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -65.63 103.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 130' ' ' GLN . 34.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 3.5 pt-20 -140.13 84.8 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.8 p -131.52 78.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER 35.81 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 2.2 pptp? -44.22 -38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.474 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 7.1 m-20 -65.78 -54.73 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 1.7 tm? -46.75 -65.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.4 pt20 -56.3 -35.03 67.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 23.6 tt0 -68.0 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.632 ' CE2' HG21 ' A' ' 171' ' ' VAL . 64.4 m-85 -43.7 -54.65 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.692 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 6.3 t-105 -49.84 -59.03 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.033 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 10.8 t -43.99 -37.84 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.69 -47.31 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.43 -49.53 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 t30 55.35 60.51 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.0 p -79.95 153.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.496 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 3.3 p -33.54 142.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 109.36 -5.52 31.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.795 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.58 156.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.747 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 13.6 mmt85 -83.54 121.11 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 102' ' ' ALA . 79.9 t -106.75 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.608 ' HG ' ' HB2' ' A' ' 94' ' ' ALA . 0.9 OUTLIER -95.38 141.44 28.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.603 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 34.8 m -140.01 104.48 6.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.578 ' HB2' HD12 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 139.84 24.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 26.34 48.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -109.55 -31.44 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' C ' ' HE3' ' A' ' 35' ' ' MET . . . 65.32 -113.81 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 35' ' ' MET . 0.1 OUTLIER -129.65 150.81 50.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -174.77 -176.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -59.97 -45.08 93.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.543 ' CG ' ' CZ ' ' A' ' 104' ' ' TYR . 2.3 m-20 -50.68 -57.91 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -52.09 -52.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -58.21 -24.91 60.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.622 ' CH2' ' NE2' ' A' ' 41' ' ' GLN . 14.3 t90 -78.85 -32.53 46.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 108.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.66 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -71.03 -56.84 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -42.45 98.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.77 -27.47 61.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.622 ' NE2' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -83.52 -38.84 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.96 53.95 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.463 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 8.3 m-85 -124.98 166.95 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.8 86.53 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.0 116.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.6 p -143.69 141.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.797 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -177.78 -174.83 44.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -131.14 162.39 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -124.09 127.49 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -95.77 70.11 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.43 132.91 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -98.46 -43.71 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.43 87.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -60.44 -35.11 75.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.685 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.8 t -62.76 -54.04 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -65.87 -33.18 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -69.9 -39.55 76.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.685 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 2.7 m-30 -72.14 -32.87 67.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -42.42 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.48 -48.07 79.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -76.21 -37.46 57.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 81.86 32.09 30.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.4 mt-10 82.6 151.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.21 -49.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.95 -169.39 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.61 111.05 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.587 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 7.3 mm -95.12 131.03 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.465 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -127.11 144.29 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -117.18 91.39 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 0.8 OUTLIER -93.83 96.87 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.99 -110.77 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -109.5 12.51 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 22.0 m-30 -120.33 148.12 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.448 ' CD ' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -103.87 156.91 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 26.1 t -139.15 98.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.692 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.3 t80 -100.4 101.25 12.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.75 134.18 42.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.42 155.8 39.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.23 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.61 -56.44 0.72 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.495 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -107.87 159.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -102.3 49.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.495 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -100.95 120.13 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.797 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -107.62 103.29 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 108.044 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.471 ' HB2' ' CD1' ' A' ' 77' ' ' TYR . 1.1 t -73.69 140.79 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.585 ' HA2' HG22 ' A' ' 55' ' ' VAL . . . 136.24 -98.93 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.651 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -134.49 163.35 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.616 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 13.2 t80 -113.22 107.73 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 164.29 42.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.35 -42.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.788 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -80.91 -172.44 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.509 ' C ' ' N ' ' A' ' 95' ' ' ARG . 2.7 m -142.79 93.7 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB1' ' CD1' ' A' ' 127' ' ' LEU . . . -49.08 -15.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.9 ttt180 -68.24 -55.96 10.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -69.11 -55.68 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.0 -57.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -55.84 -73.31 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.63 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 59.25 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.575 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.679 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 18.0 t -143.23 134.81 26.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.795 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.58 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.692 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -162.4 -179.85 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -157.5 121.07 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.543 ' CZ ' ' CG ' ' A' ' 34' ' ' ASP . 52.9 t80 -90.12 114.78 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.56 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 3.5 t0 -101.76 127.39 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -101.24 159.03 15.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 106' ' ' ARG . . . -49.28 107.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -140.02 -56.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.515 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -66.81 -17.67 64.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.561 ' CG2' HG21 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -69.35 -17.54 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.13 -54.79 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.91 169.98 2.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.529 1.804 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 117' ' ' ARG . . . -76.07 -65.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 114' ' ' ALA . 4.0 m-20 -39.43 -62.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.515 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 5.8 tpt -52.67 -46.22 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.621 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 1.9 mtp180 -51.2 -60.48 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.507 ' CG ' HG23 ' A' ' 161' ' ' VAL . 6.4 mt-10 -49.15 -44.72 42.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 9.7 mmt180 -66.52 -25.17 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 5.2 t80 -79.05 -48.75 13.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.524 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 1.0 OUTLIER -66.07 -39.1 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -67.4 -50.58 58.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.545 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 37.9 m170 -61.6 -39.42 91.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.558 HD21 ' SD ' ' A' ' 128' ' ' MET . 0.7 OUTLIER -64.41 -64.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.61 ' HB3' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -53.76 -22.14 8.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.2 -60.94 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.62 ' CD1' ' HB1' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -73.58 -11.09 60.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.558 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.01 176.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.63 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.01 -154.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 201' ' ' VAL . 15.0 mm100 -117.32 -38.39 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.604 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.51 88.92 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.533 ' HB3' ' N ' ' A' ' 102' ' ' ALA . 13.7 m -149.69 147.52 28.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -91.05 118.59 30.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.552 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -97.69 149.6 19.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 197' ' ' VAL . 9.8 tp -140.23 99.17 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.521 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -86.32 142.83 28.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.473 HD11 ' CG2' ' A' ' 195' ' ' VAL . 8.5 mm -125.67 105.6 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.516 ' C ' ' CD1' ' A' ' 139' ' ' LEU . 80.8 p -104.35 176.52 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.601 ' N ' ' CD2' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -150.82 171.42 17.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -131.77 -74.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.581 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.3 m-85 -25.18 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.581 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.1 OUTLIER -25.38 135.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 16.0 pt20 174.58 -31.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.39 47.37 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 179.63 -30.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.542 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.7 OUTLIER -90.56 148.13 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.91 102.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.33 129.13 4.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.32 5.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.474 ' CG ' ' O ' ' A' ' 142' ' ' ASP . 18.3 Cg_endo -75.03 133.89 17.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . 6.1 m-85 -87.95 14.64 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 152' ' ' SER . 3.8 p 37.0 60.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.561 HG21 ' CG2' ' A' ' 110' ' ' ILE . 2.5 t -43.65 118.24 2.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -75.03 121.33 6.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.733 ' CG ' ' CE1' ' A' ' 196' ' ' TYR . 2.3 mp0 -37.2 -39.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 157' ' ' TRP . 0.8 OUTLIER -58.36 -47.52 83.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.638 ' O ' ' HG2' ' A' ' 160' ' ' ARG . 60.3 t90 -53.68 -53.98 44.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 162' ' ' MET . 0.3 OUTLIER -50.94 -40.8 58.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.644 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -73.23 -18.37 61.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -83.16 -37.67 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.06 -60.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.628 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.2 6.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 161' ' ' VAL . 28.8 t -98.04 101.63 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.575 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 142.72 62.57 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.8 m-20 150.43 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.628 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.69 127.79 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.3 95.16 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.623 ' HB ' ' CE2' ' A' ' 196' ' ' TYR . 31.7 m -77.56 136.85 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -130.86 136.75 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 196' ' ' TYR . 26.0 tttm -66.52 126.25 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.632 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -156.0 165.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 60.52 -155.93 31.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 134.26 -67.62 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 176' ' ' THR . 8.3 tt0 -35.98 144.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' A' ' 191' ' ' MET . 4.8 p-10 -67.69 61.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 176' ' ' THR . 3.7 t -80.41 73.37 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.523 ' CD1' HD23 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -53.53 -20.38 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.436 ' OG ' ' ND2' ' A' ' 6' ' ' ASN . 15.0 t -73.24 -73.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.75 136.85 41.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -72.18 -29.79 64.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -24.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 181' ' ' ALA . . . -67.41 -54.35 20.32 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 177' ' ' LEU . 2.0 mm? -72.94 -14.9 61.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.739 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -69.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.542 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.48 68.74 1.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 3.1 mm? -86.4 -52.18 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 77.99 -4.43 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 1.3 mtt180 158.76 103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.578 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.2 OUTLIER -149.04 142.07 24.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.516 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.3 OUTLIER -59.26 128.8 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -130.92 121.73 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 194' ' ' HIS . 0.2 OUTLIER -103.93 155.35 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.62 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 137' ' ' ILE . 24.1 t -132.48 152.16 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.733 ' CE1' ' CG ' ' A' ' 155' ' ' GLN . 0.0 OUTLIER -145.25 118.93 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 135' ' ' LEU . 41.5 t -85.43 106.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.537 HD21 ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -105.64 102.77 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.92 98.07 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.438 ' HD2' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.2 100.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' GLN . 28.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.53 84.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.7 p -131.81 78.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.1 m-80 33.67 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -45.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 12' ' ' TYR . 1.7 m-20 -62.83 -46.46 87.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 1.5 tm? -50.96 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 14' ' ' SER . 20.4 pt20 -57.33 -33.82 68.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 1.7 tp60 -67.91 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.557 ' CE2' HG21 ' A' ' 171' ' ' VAL . 47.0 m-85 -44.13 -54.75 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.68 -55.46 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.1 m -48.23 -36.2 13.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -82.24 -50.85 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -38.6 -43.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.2 t-20 64.17 50.57 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.05 137.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -43.31 148.96 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 102.84 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 112.54 -9.88 26.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.737 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.17 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.715 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 14.6 mmt85 -78.47 116.51 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.481 ' CG1' HD13 ' A' ' 38' ' ' LEU . 54.5 t -99.4 97.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.497 ' CD2' HD12 ' A' ' 97' ' ' ILE . 1.5 tm? -81.33 152.86 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.539 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -162.15 124.14 1.67 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 -64.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.654 ' CD1' ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -144.36 65.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' CD1' ' A' ' 104' ' ' TYR . 34.7 t -112.24 -7.29 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -31.23 94.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mtpm? -119.33 -102.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.5 OUTLIER 178.64 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -75.45 -51.28 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.45 -58.04 7.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.415 ' CG ' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -60.14 -61.53 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 32' ' ' SER . 94.7 p -44.45 -31.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.412 ' CE3' HD21 ' A' ' 38' ' ' LEU . 26.9 t90 -71.68 -49.78 36.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 HD13 ' CG1' ' A' ' 24' ' ' VAL . 19.6 mt -62.07 -66.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -45.52 -47.09 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.24 -24.69 45.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LEU . 18.3 mm-40 -91.9 -23.94 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 0.788 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.5 72.29 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -137.59 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.448 ' CD2' ' HE ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -93.05 82.4 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.7 106.67 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.52 ' CB ' ' HB3' ' A' ' 83' ' ' GLU . 1.8 p -139.62 110.68 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.705 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -156.12 179.29 32.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -114.18 169.0 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -126.78 99.97 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.571 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 3.0 mm? -68.18 72.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.2 128.2 10.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.44 -53.49 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.71 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -70.67 -37.52 73.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -58.67 -49.3 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.8 mt-10 -63.24 -46.54 86.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.83 -36.28 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.449 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -66.6 -46.88 74.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 4.4 m-30 -68.11 -24.67 65.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -36.53 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.21 -39.55 68.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -35.11 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.61 32.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.2 mt-10 75.31 148.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER 161.31 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.03 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.8 113.59 25.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.498 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 39.3 mm -106.39 120.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.435 HG21 HG11 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -122.74 150.6 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -109.59 108.9 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.507 ' CG ' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -95.14 85.56 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.28 -89.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 33.1 t70 -118.19 32.03 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 18.8 m-85 -144.91 173.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.585 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -132.43 156.72 46.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.517 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.5 m -142.47 112.35 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.689 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.51 106.27 15.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.18 132.08 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.45 156.17 35.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.04 2.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.67 -55.08 0.73 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -108.9 164.62 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -106.45 51.73 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.468 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.54 112.58 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.705 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -102.01 105.52 16.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 49' ' ' GLU . 4.4 t -74.43 139.55 44.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.585 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 137.27 -110.45 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.641 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -123.88 164.15 19.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.587 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 12.1 t80 -104.0 107.4 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 163.91 37.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.507 ' HB3' ' CG ' ' A' ' 71' ' ' GLN . . . -136.87 7.16 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.719 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.74 165.65 25.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.524 ' N ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -113.04 91.98 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.58 ' O ' ' HA3' ' A' ' 98' ' ' GLY . . . -46.44 -19.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -84.5 -51.76 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.447 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 76.6 m-20 -55.98 -48.73 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -81.06 -33.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.593 ' N ' ' CD1' ' A' ' 97' ' ' ILE . . . -56.14 -78.1 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.645 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.32 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.629 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.772 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 10.4 t -147.85 141.86 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 108.347 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.737 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.69 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.594 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -158.39 167.78 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.666 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -149.16 113.18 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.661 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 25.1 t80 -91.25 137.8 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.466 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 11.8 t0 -126.16 144.7 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 5.6 tpp180 -105.05 154.71 19.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -46.1 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.94 -40.96 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.581 ' HB2' ' CG ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -65.82 -30.23 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.503 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -70.36 -10.17 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.415 ' N ' HD11 ' A' ' 110' ' ' ILE . . . -102.0 -35.24 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.527 HD21 ' CG ' ' A' ' 116' ' ' MET . 5.2 mp -89.55 162.76 35.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.623 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.03 -155.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 -68.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 10.5 t70 -40.17 -60.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.527 ' CG ' HD21 ' A' ' 112' ' ' LEU . 9.9 tpp -50.85 -46.99 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.624 ' NH2' ' CG ' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -52.81 -60.84 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.469 ' CG ' HG23 ' A' ' 161' ' ' VAL . 2.6 mt-10 -48.29 -38.83 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -72.67 -25.23 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.624 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 1.2 t80 -78.29 -53.26 7.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 1.4 m -61.72 -41.6 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 11.3 pt20 -66.09 -48.41 71.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 54.1 m170 -60.78 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.698 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.45 -60.55 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -55.29 -22.35 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.51 -62.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -87.31 25.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.68 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -92.09 177.23 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.68 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 8.5 pt20 -112.56 -46.82 3.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.772 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.36 100.93 4.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -156.49 160.13 39.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.451 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -101.45 108.0 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.527 ' CA ' ' CD2' ' A' ' 103' ' ' PHE . . . -85.21 139.37 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.544 ' CD1' HG21 ' A' ' 197' ' ' VAL . 12.0 tp -133.65 98.67 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.544 HD12 ' CE ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -86.1 134.52 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.591 HD13 ' CE2' ' A' ' 104' ' ' TYR . 3.6 mp -120.23 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 107' ' ' ALA . 23.4 p -139.52 -179.92 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.49 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -146.54 174.35 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.498 ' CG ' ' HB2' ' A' ' 192' ' ' ASP . 4.1 pt-20 -130.07 -61.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.627 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.9 OUTLIER -37.17 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -29.39 146.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER 162.82 -21.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -133.37 47.62 2.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.657 ' CD2' ' C ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 176.96 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.494 HD12 ' CB ' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -87.54 158.89 18.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.41 105.83 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.15 124.73 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 127.61 10.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.55 18.77 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 153' ' ' VAL . 7.9 p 40.88 52.81 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 152' ' ' SER . 7.9 p -37.44 119.2 0.87 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.511 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.93 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.5 tm0? -36.92 -47.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -45.15 -45.37 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.623 ' CZ2' ' HB3' ' A' ' 117' ' ' ARG . 63.3 t90 -57.39 -52.19 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.614 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.4 OUTLIER -51.37 -42.24 61.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.584 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.5 t60 -74.1 -17.89 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -81.83 -39.48 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.664 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -113.43 -56.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.736 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.77 6.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.664 ' H ' ' C ' ' A' ' 161' ' ' VAL . 33.2 t -104.75 96.96 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 169.27 46.35 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.587 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.7 m-20 149.53 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.41 128.93 17.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 10.9 mt-10 -82.85 91.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.497 ' HA ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 m -70.76 126.19 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -117.25 152.02 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.41 ' HB3' ' NE2' ' A' ' 155' ' ' GLN . 7.8 pttt -83.04 133.93 35.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.605 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -161.07 169.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.13 -164.26 13.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 179.62 -163.41 30.7 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -116.76 -177.69 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 59.32 14.62 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 176' ' ' THR . 8.9 t -116.52 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.532 ' CD2' ' HA3' ' A' ' 183' ' ' GLY . 0.0 OUTLIER -89.68 -37.4 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 179' ' ' SER . 18.6 m80 -57.79 -44.82 86.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 178' ' ' HIS . 24.8 p -38.31 -68.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t -73.21 119.59 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 182' ' ' ARG . . . -59.84 -51.66 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 181' ' ' ALA . 27.8 mtt180 -38.07 -45.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -54.47 -62.68 5.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.68 -34.89 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.12 74.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.61 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -73.92 -40.09 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.61 77.77 1.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.587 ' HG ' HD23 ' A' ' 145' ' ' LEU . 1.6 mp -111.74 -21.28 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 177' ' ' LEU . 14.7 pt-20 36.14 30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 161.25 100.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.627 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.1 OUTLIER -156.43 144.62 19.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.498 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 2.3 m-20 -81.42 125.39 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.5 OUTLIER -115.78 128.76 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.464 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.2 OUTLIER -112.45 122.92 49.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.559 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.578 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 31.6 t -114.06 164.78 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 20.3 m-85 -147.34 139.15 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.544 HG21 ' CD1' ' A' ' 135' ' ' LEU . 54.2 t -106.4 98.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.582 ' N ' ' CD2' ' A' ' 198' ' ' LEU . 0.1 OUTLIER -99.02 106.74 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.5 tt0 -76.16 103.27 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 2.9 ttm-85 -69.37 100.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' GLN . 29.9 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -138.95 84.79 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.1 p -131.7 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER 35.03 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -38.5 -45.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' TYR . 4.1 m-20 -60.15 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.57 HD23 ' CD1' ' A' ' 104' ' ' TYR . 2.7 tm? -45.06 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.32 -35.91 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -70.03 -74.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.618 ' CE2' ' CG1' ' A' ' 171' ' ' VAL . 42.4 m-85 -44.22 -54.52 5.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 5.1 t-105 -53.11 -55.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.7 m -46.03 -34.47 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -84.14 -52.7 6.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -38.46 -63.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 59.8 t-20 64.93 52.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 19' ' ' VAL . 14.8 p -67.12 155.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 18' ' ' VAL . 2.7 p -32.35 140.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.62 3.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.42 -4.84 37.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.763 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -41.4 159.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.748 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 5.8 mmt85 -78.58 123.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG1' HD21 ' A' ' 38' ' ' LEU . 55.5 t -105.02 102.67 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.491 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 3.5 tm? -90.2 137.01 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -136.32 94.34 13.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.634 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 29.88 40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -117.94 -15.02 10.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -29.59 97.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -104.47 -98.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -178.44 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -77.51 -48.12 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.54 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 8.7 p-10 -53.23 -45.96 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.478 ' CG ' ' N ' ' A' ' 36' ' ' SER . 18.9 ptm -76.62 -50.17 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 32' ' ' SER . 25.7 t -50.23 -33.9 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.944 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.449 ' NE1' ' HG3' ' A' ' 10' ' ' GLN . 17.2 t90 -77.67 -55.37 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD21 ' CG1' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -46.89 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -52.56 64.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.24 -17.78 5.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 37' ' ' TRP . 4.5 tp-100 -92.39 -32.68 14.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.11 60.99 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.433 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 28.2 m-85 -139.25 165.87 26.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.462 ' O ' HG13 ' A' ' 46' ' ' VAL . 2.3 t-80 -87.13 80.28 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.576 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.425 HG12 ' CG1' ' A' ' 82' ' ' ILE . 78.9 t -72.35 115.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.59 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.2 p -148.96 107.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.709 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -147.64 -173.09 18.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -130.38 166.26 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -128.18 134.83 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -101.37 74.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.07 133.03 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -98.25 -49.52 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.24 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.23 74.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.636 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.34 -51.21 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 55' ' ' VAL . 4.4 mm-40 -60.02 -42.91 95.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.72 82.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -66.29 -42.99 87.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 2.6 m-30 -71.76 -26.14 62.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -40.46 34.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.1 -44.14 69.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -77.27 -37.12 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.52 37.12 24.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 16.9 mt-10 73.08 149.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 165.5 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -74.97 -173.51 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 114.09 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.4 mm -100.26 130.22 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.502 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -128.72 153.43 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.7 m -100.71 134.0 44.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -142.26 85.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.42 -114.38 5.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.04 24.99 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 87.7 m-85 -140.52 173.41 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.672 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 tttt -126.44 176.23 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 70.6 t -142.37 102.64 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -108.52 101.57 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -110.23 141.33 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.19 167.31 9.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.75 -54.12 40.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.476 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -115.24 148.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -97.14 56.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -108.85 112.32 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.709 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.01 99.54 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 4.8 t -72.87 140.45 47.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.672 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.49 -100.69 0.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.621 ' HB3' ' CB ' ' A' ' 74' ' ' PHE . 3.6 p-10 -118.74 164.06 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.636 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 5.6 t80 -127.01 96.19 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.67 58.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.9 -42.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.751 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -79.18 -175.84 4.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.463 ' C ' ' N ' ' A' ' 95' ' ' ARG . 4.4 m -125.3 86.73 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.529 ' HA ' ' CG1' ' A' ' 97' ' ' ILE . . . -53.04 -13.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.98 -56.62 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.59 ' CD1' HG11 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -80.8 -34.44 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.501 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -74.17 -76.66 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER 66.68 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.593 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.701 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 0.1 OUTLIER -148.15 144.05 27.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.763 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.75 -111.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.645 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -167.04 172.31 10.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.65 ' N ' HH22 ' A' ' 200' ' ' ARG . 0.1 OUTLIER -151.7 152.13 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.58 ' CE1' HD11 ' A' ' 137' ' ' ILE . 3.1 t80 -115.55 117.73 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.618 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . 2.0 t0 -101.71 141.04 35.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -111.65 172.36 6.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.564 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -61.45 88.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.411 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -121.45 -49.79 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.482 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -65.09 -31.36 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.564 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -63.96 -11.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.455 ' N ' HD11 ' A' ' 110' ' ' ILE . . . -88.72 -62.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.69 167.85 5.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -73.41 -66.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.3 m-20 -39.47 -63.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.566 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 31.2 tpp -51.96 -46.79 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.625 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 8.3 mtm180 -54.83 -37.58 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.437 ' CD ' HG23 ' A' ' 161' ' ' VAL . 1.3 mt-10 -66.32 -48.69 69.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -67.96 -20.16 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.53 ' CD1' HD12 ' A' ' 112' ' ' LEU . 1.6 t80 -75.63 -52.44 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.493 ' HB ' ' CG ' ' A' ' 162' ' ' MET . 1.4 m -62.54 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -60.25 -50.2 74.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 8.5 m80 -55.24 -39.72 70.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -62.26 -64.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.655 ' HG3' ' CE2' ' A' ' 166' ' ' TRP . 13.6 mm-40 -53.33 -19.13 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.04 -57.66 3.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.628 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -87.71 2.62 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.712 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.5 mmt -65.72 177.09 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER 171.69 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.663 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -125.28 83.03 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.701 ' SG ' ' HA ' ' A' ' 100' ' ' CYS . 4.7 m -148.84 165.35 31.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.453 ' C ' HH21 ' A' ' 200' ' ' ARG . 0.2 OUTLIER -111.19 108.68 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.593 ' N ' HH21 ' A' ' 200' ' ' ARG . . . -88.52 153.01 23.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.533 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.5 OUTLIER -139.1 99.44 3.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.506 HD23 ' CG2' ' A' ' 138' ' ' THR . 0.3 OUTLIER -82.78 135.28 35.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' A' ' 104' ' ' TYR . 3.5 mp -125.86 94.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.506 ' CG2' HD23 ' A' ' 136' ' ' LEU . 32.4 p -103.83 172.16 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.595 HD21 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -129.5 174.56 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -132.77 -73.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 142' ' ' ASP . 49.3 t80 -35.07 -71.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.51 ' HB3' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.4 138.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 1.6 pp0? 173.63 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -125.06 48.47 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.52 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.6 OUTLIER -88.9 151.22 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.7 101.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.97 137.56 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.418 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.02 131.43 14.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.467 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -84.13 16.46 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.5 p 35.68 51.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.481 HG11 ' CG2' ' A' ' 110' ' ' ILE . 11.2 p -35.75 117.98 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.486 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.99 133.45 16.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.598 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.9 tt0 -46.22 -48.13 17.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.0 OUTLIER -43.93 -44.46 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.625 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 76.4 t90 -58.38 -52.38 65.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.645 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.6 mp -52.75 -35.83 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.65 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -79.57 -18.24 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -82.73 -38.54 23.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.63 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.16 -57.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.678 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -59.92 6.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 12.3 t -93.58 107.18 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.84 59.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.1 m-20 147.6 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.93 133.37 20.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.983 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 mt-10 -93.9 100.91 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 198' ' ' LEU . 26.7 m -74.86 130.08 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -120.33 141.3 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' A' ' 171' ' ' VAL . 0.0 OUTLIER -59.41 131.95 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 12' ' ' TYR . 98.6 t -155.8 170.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.478 ' N ' ' CG1' ' A' ' 171' ' ' VAL . . . 64.56 -172.26 18.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -174.39 -140.16 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -125.23 175.04 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.44 18.1 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 193' ' ' GLU . 9.6 t -116.43 74.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.466 HD23 ' HB2' ' A' ' 188' ' ' LEU . 2.3 tm? -78.34 -37.05 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -84.48 46.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 176' ' ' THR . 32.1 t -137.44 -44.7 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 4.8 t -93.83 118.8 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.36 69.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 106' ' ' ARG . 1.3 mmt180 -57.95 -17.58 17.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -75.46 -42.03 28.56 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.67 -14.71 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -48.2 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.52 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -89.94 -29.58 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.47 68.37 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 3.0 mm? -86.15 -36.24 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.8 pt-20 49.54 19.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.553 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 153.27 96.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.479 ' HB3' ' HB3' ' A' ' 188' ' ' LEU . 1.4 ptt? -153.3 155.18 36.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.52 127.82 34.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 173' ' ' GLY . 28.5 tt0 -118.47 111.46 18.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -98.02 122.74 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.636 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 47.1 t -112.72 162.24 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 26.1 m-85 -155.2 133.43 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 171' ' ' VAL . 53.6 t -93.93 105.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.5 HD21 ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -96.53 104.62 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.654 ' CZ ' ' HB2' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -66.59 97.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 130' ' ' GLN . 35.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 2.0 pt-20 -140.09 84.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.499 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.2 p -131.72 78.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.499 ' O ' ' O ' ' A' ' 5' ' ' VAL . 12.0 m-80 37.33 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -45.75 -37.66 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -66.84 -48.51 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 3.3 tm? -51.42 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.84 -33.76 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 5.9 tp60 -69.33 -79.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.437 ' OH ' ' HB ' ' A' ' 171' ' ' VAL . 40.1 m-85 -44.17 -53.47 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.686 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 6.5 t-105 -51.37 -57.13 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 5.9 m -47.03 -34.67 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -82.17 -44.81 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -46.45 -41.47 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 23.6 t-20 64.92 42.78 4.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG13 ' HB1' ' A' ' 22' ' ' ALA . 37.8 t -48.41 145.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' ' 22' ' ' ALA . 2.4 m -53.26 150.95 10.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.62 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.57 -8.57 28.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.766 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -41.0 153.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.777 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 23.3 mmt85 -90.66 132.56 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.575 ' CG1' HD13 ' A' ' 38' ' ' LEU . 60.7 t -108.82 109.78 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 103' ' ' PHE . 1.6 tm? -79.5 128.18 33.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.586 ' CG1' ' O ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -118.56 90.3 39.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.71 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.0 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.63 ' CD2' ' CD1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER 42.42 26.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.53 ' HB3' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -95.04 -30.14 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.501 ' HA2' ' CD1' ' A' ' 84' ' ' ILE . . . 59.17 -116.88 9.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -103.85 167.63 9.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.407 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER 168.67 164.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -49.04 -41.74 36.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.627 ' OD1' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.3 -58.18 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.474 ' CE ' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -47.59 -51.83 19.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -38.36 83.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.33 -39.87 94.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 107.997 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.575 HD13 ' CG1' ' A' ' 24' ' ' VAL . 9.2 mt -67.21 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.3 -32.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.78 -38.2 37.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 9.7 mm-40 -71.35 -32.79 68.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.95 66.45 0.61 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -132.12 172.17 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 46.3 m170 -99.83 91.96 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.614 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -85.31 120.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.584 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -144.83 114.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.67 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -162.49 -173.45 31.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.717 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -138.07 160.85 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.632 ' HG3' ' HA ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -123.9 118.04 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.7 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 3.4 mm? -75.1 82.65 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.3 132.81 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -98.36 -49.44 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.13 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 58' ' ' TYR . . . -66.35 -34.0 76.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.663 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -62.66 -53.32 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' HG13 ' A' ' 55' ' ' VAL . 2.4 mt-10 -59.26 -43.33 92.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.62 -40.09 93.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -61.67 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.663 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 1.9 m-30 -73.94 -24.25 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -76.99 -42.07 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -47.14 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 71.97 32.81 63.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 1.4 mt-10 84.03 142.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 164.23 -50.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.0 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.27 113.06 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.619 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 8.4 mm -110.58 127.17 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.515 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -135.41 145.94 47.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 t -109.95 114.35 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -110.66 98.01 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.76 -106.02 1.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.16 21.7 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CE1' ' OD2' ' A' ' 88' ' ' ASP . 20.0 m-85 -130.11 172.66 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 6.1 tttp -134.61 164.63 27.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.515 ' CG1' HG21 ' A' ' 69' ' ' THR . 0.2 OUTLIER -142.16 118.7 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.782 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -118.14 100.53 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.82 133.9 42.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.77 152.9 37.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.08 -53.88 0.65 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.485 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -111.23 163.72 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -101.16 48.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.501 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -105.09 118.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.734 ' HA ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -112.43 119.81 39.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.632 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 8.1 t -83.79 148.79 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 128.7 -99.77 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.609 ' OD2' ' CE1' ' A' ' 74' ' ' PHE . 12.6 t70 -130.36 163.18 27.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.7 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -140.16 126.78 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 157.0 41.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.31 36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -126.44 -1.34 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.452 ' O ' HG21 ' A' ' 97' ' ' ILE . 7.5 m 51.08 83.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.395 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.52 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . . . -60.38 -12.06 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 128' ' ' MET . 36.8 ttt85 -82.96 -43.29 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -26.69 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.681 ' O ' ' CE1' ' A' ' 99' ' ' HIS . 0.8 OUTLIER -91.78 -29.05 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -82.88 -70.88 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 3.0 p-80 54.25 -73.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.623 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.699 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 31.9 p -141.33 137.03 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.777 ' CB ' ' O ' ' A' ' 23' ' ' ARG . . . 146.19 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.686 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -171.79 -175.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -158.98 147.05 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.71 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 16.0 t80 -117.68 120.47 38.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 1.7 t0 -106.34 137.68 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -112.45 172.02 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.539 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -50.88 112.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -156.38 -59.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.685 ' HG3' ' CZ ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -69.92 -9.45 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.551 ' CG2' HG21 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -83.97 -12.86 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.455 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -99.87 -9.4 22.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.546 HD21 ' CG ' ' A' ' 116' ' ' MET . 5.3 mp -98.45 165.99 14.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -56.92 -64.31 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.4 m-20 -39.86 -55.82 1.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.546 ' CG ' HD21 ' A' ' 112' ' ' LEU . 11.0 tpp -59.62 -45.22 92.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.732 ' HD2' ' CH2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -54.71 -38.93 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.435 ' CD ' HG23 ' A' ' 161' ' ' VAL . 1.8 mt-10 -67.18 -50.95 59.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.514 ' HD3' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -64.21 -20.67 66.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.591 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 3.0 t80 -78.27 -55.8 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.517 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 2.2 m -57.39 -41.7 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 7.8 pt20 -67.34 -46.67 72.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.514 ' CE1' ' HD3' ' A' ' 119' ' ' ARG . 14.0 m170 -58.19 -40.41 81.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -66.08 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -53.41 -18.7 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.47 -63.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -84.3 14.89 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.699 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -80.89 177.0 3.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.01 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.22 -38.06 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.95 90.04 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.53 ' HB2' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -146.27 149.74 34.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -95.92 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.573 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -91.21 147.76 19.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.518 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -139.57 104.94 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -86.46 137.95 32.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.548 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 6.0 mm -123.68 92.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 110' ' ' ILE . 31.1 p -97.47 168.36 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.603 ' CD2' ' CE ' ' A' ' 191' ' ' MET . 0.4 OUTLIER -149.26 165.11 32.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.37 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.54 ' OE2' ' CD2' ' A' ' 194' ' ' HIS . 5.7 pt-20 -131.11 -59.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.486 ' O ' ' CG ' ' A' ' 143' ' ' GLN . 58.7 t80 -38.0 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -35.91 153.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.571 ' CB ' ' O ' ' A' ' 142' ' ' ASP . 1.1 pp0? 154.63 -16.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.6 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.14 42.62 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.734 ' C ' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 176.27 -33.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.69 151.91 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 147' ' ' GLU . 4.8 pt-20 -66.01 109.24 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.464 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 81.51 120.32 0.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.03 110.94 3.21 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.04 139.2 23.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -97.42 7.16 47.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 151' ' ' PHE . 1.1 p 58.63 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.551 HG21 ' CG2' ' A' ' 110' ' ' ILE . 3.8 t -124.38 121.22 26.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.525 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -39.75 -47.24 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.525 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -44.79 -41.76 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.431 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.732 ' CH2' ' HD2' ' A' ' 117' ' ' ARG . 54.4 t90 -63.75 -48.17 78.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.616 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.4 OUTLIER -56.39 -35.49 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.638 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -82.22 -17.52 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -82.08 -39.03 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.716 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.4 -59.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.64 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.54 5.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.659 ' H ' ' C ' ' A' ' 161' ' ' VAL . 16.0 t -95.37 108.22 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 133.62 64.05 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 6.2 m-20 151.19 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.81 148.14 32.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -96.05 86.29 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 159' ' ' HIS . 17.9 m -70.59 128.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -124.26 135.11 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 129.68 40.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -159.13 166.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 80.68 -149.24 29.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.01 -126.46 1.72 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.43 171.78 13.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.36 9.7 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.542 ' O ' ' CG2' ' A' ' 176' ' ' THR . 13.6 t -116.23 74.12 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.517 HD11 ' N ' ' A' ' 189' ' ' GLU . 8.8 tt -90.55 -48.4 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -28.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.493 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 1.8 m -60.93 -51.59 68.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' LEU . 95.2 p -94.84 157.05 16.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 184' ' ' LEU . . . -91.09 -34.13 15.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -43.97 -33.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.512 ' HA2' ' CD1' ' A' ' 188' ' ' LEU . . . -64.97 -39.28 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 181' ' ' ALA . 0.9 OUTLIER -78.21 -21.03 50.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -46.75 53.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.626 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -90.62 -40.06 12.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 91.93 79.22 1.4 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.681 ' HG ' ' CD2' ' A' ' 145' ' ' LEU . 3.6 mp -112.64 -17.16 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 33.65 32.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 152.45 89.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 139' ' ' LEU . 25.0 ptt? -139.46 137.72 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 113.47 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 173' ' ' GLY . 13.3 tt0 -125.45 114.27 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.54 ' CD2' ' OE2' ' A' ' 140' ' ' GLU . 69.9 m-70 -95.37 123.16 38.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.591 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 15.7 t -103.07 152.5 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 23.5 m-85 -144.55 115.58 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . . . . . . . . . 72.3 t -84.1 101.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.481 ' CD2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -100.8 109.17 21.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -79.26 97.75 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.4 103.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -140.5 84.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.5 p -132.02 78.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.507 ' O ' ' O ' ' A' ' 5' ' ' VAL . 12.1 m-80 34.28 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -43.56 -39.67 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.477 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 4.7 m-20 -63.78 -52.85 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 2.8 tm? -48.76 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.3 pt20 -55.74 -29.59 59.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 14.7 tp60 -73.06 -79.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' ASP . 47.6 m-85 -43.89 -41.73 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 3.9 t-105 -66.03 -44.89 83.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -56.84 -29.46 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -40.16 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.14 -40.96 74.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t30 41.21 41.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 19' ' ' VAL . 11.9 p -49.37 155.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 18' ' ' VAL . 4.6 m -33.12 142.08 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 105.37 -4.51 40.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.791 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -39.64 158.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.787 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 14.1 mmt85 -83.8 120.1 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 44' ' ' HIS . 2.8 m -105.75 118.79 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.592 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -101.59 137.43 39.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.628 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 35.8 m -138.92 104.83 7.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 136.63 20.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.692 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.56 48.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 9.2 t -98.31 -34.18 10.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.3 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 54.8 -116.24 6.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 132.2 46.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.76 154.9 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 20.8 mm-40 -55.69 -35.86 66.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.42 -58.24 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -57.39 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -33.03 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.584 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 15.3 t90 -72.01 -38.31 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.579 HD22 ' CZ2' ' A' ' 13' ' ' TRP . 86.0 mt -64.93 -59.38 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 m -51.67 -43.55 62.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.2 71.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -84.13 -37.58 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.44 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CE1' ' HB3' ' A' ' 41' ' ' GLN . 10.2 m-85 -123.07 175.01 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.627 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -89.2 75.39 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.608 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 85.4 t -65.85 110.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 1.4 p -141.88 114.65 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.665 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -147.93 -176.91 21.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.626 ' CB ' ' CE2' ' A' ' 85' ' ' TRP . . . -130.59 161.91 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.571 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.91 122.73 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.668 HD23 ' CB ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -96.31 67.02 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.562 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 68.7 m -153.6 98.82 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HA ' HG12 ' A' ' 55' ' ' VAL . 3.9 tt0 -60.83 -61.19 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.04 -36.11 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 51' ' ' SER . . . -61.05 -55.52 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG23 ' N ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -50.8 -36.7 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.604 ' N ' HG23 ' A' ' 55' ' ' VAL . 14.9 mt-10 -65.23 -44.67 87.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.514 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.23 -31.91 72.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -75.46 -35.79 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.6 ' CE2' HG21 ' A' ' 55' ' ' VAL . 8.2 m-30 -71.86 -30.87 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -34.8 26.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.37 -39.09 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -87.12 -33.95 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.54 40.31 32.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.7 mt-10 74.3 146.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.793 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 163.33 -49.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.04 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 77' ' ' TYR . 4.3 t60 -90.05 111.97 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 59' ' ' PHE . 5.3 mm -108.49 130.87 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.536 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -136.22 143.42 44.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 m -95.5 120.18 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.47 85.08 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.29 -111.27 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 18.47 18.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.1 m-85 -133.65 172.57 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.593 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -132.51 164.33 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.536 ' CG1' HG21 ' A' ' 69' ' ' THR . 0.2 OUTLIER -143.09 108.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.736 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -116.49 100.57 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -97.99 154.15 17.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.77 156.01 56.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.12 -52.62 2.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.516 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -130.02 173.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.506 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -97.74 43.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.516 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -99.86 108.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.796 ' CZ2' ' HB3' ' A' ' 92' ' ' LEU . 1.4 p-90 -101.03 104.58 15.73 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -68.32 149.46 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.602 ' N ' HG13 ' A' ' 55' ' ' VAL . . . 132.24 -105.0 0.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.681 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.1 t70 -140.65 163.25 33.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.679 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -114.05 133.43 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.645 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 153.88 40.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 90' ' ' PHE . . . 175.36 51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.796 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -139.1 -5.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER 38.74 79.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -58.68 -11.52 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 127' ' ' LEU . 1.8 ptt85 -80.65 -45.31 17.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -67.59 -45.95 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.522 ' CD1' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -74.82 -40.3 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -66.79 -75.99 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 1.6 t-80 64.08 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.675 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.7 t -144.8 137.83 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.77 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.608 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -168.49 -173.8 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 4.4 p90 -168.85 138.43 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 34' ' ' ASP . 3.2 t80 -103.05 117.17 33.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.518 ' HB2' ' CD1' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -96.98 128.1 43.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -96.97 165.25 12.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.523 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -58.87 101.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -134.27 -53.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.454 ' O ' ' CG ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -65.25 -28.11 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.523 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -62.17 -15.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.3 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.83 169.79 0.49 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -66.35 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 t0 -39.25 -56.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.585 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 28.2 tpp -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.621 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 32.5 mtp180 -51.92 -45.65 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.513 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 9.7 mt-10 -66.0 -46.43 78.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.441 ' O ' ' ND1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -62.49 -23.3 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -78.57 -51.4 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.531 ' O ' ' CZ2' ' A' ' 166' ' ' TRP . 1.1 m -61.31 -41.58 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 9.9 pt20 -66.85 -48.51 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.6 m170 -55.49 -41.76 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.63 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.516 ' CD2' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -67.57 -60.39 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.634 ' HB2' ' CZ2' ' A' ' 166' ' ' TRP . 0.2 OUTLIER -51.63 -20.96 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.05 -58.92 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.628 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -81.15 3.73 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.687 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.9 mmt -71.74 175.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.687 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -74.97 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 mt-30 -105.63 -48.55 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.33 97.06 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 33.4 m -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -103.16 107.5 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.682 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.77 149.68 20.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -144.12 109.43 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.558 ' CD2' ' CG2' ' A' ' 138' ' ' THR . 0.3 OUTLIER -91.85 144.75 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.483 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 13.9 mm -127.42 98.08 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.558 ' CG2' ' CD2' ' A' ' 136' ' ' LEU . 78.8 p -106.31 168.55 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.561 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -135.29 164.17 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.6 tm-20 -118.08 -82.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.552 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.1 m-85 -27.64 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.552 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -28.68 139.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 7.0 pt20 168.37 -28.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.4 44.03 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 179.89 -31.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.524 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.8 OUTLIER -87.44 143.77 27.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -53.54 106.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 77.66 131.58 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.96 3.91 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.5 13.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -79.94 9.92 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 153' ' ' VAL . 6.8 p 47.74 46.24 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.501 ' O ' ' OH ' ' A' ' 196' ' ' TYR . 8.1 p -36.83 115.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.94 28.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 8.7 tm0? -55.5 -44.65 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 160' ' ' ARG . 11.3 t -52.63 -39.75 62.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.621 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 70.8 t90 -62.06 -52.01 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.1 mt -52.47 -46.42 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.536 ' O ' ' CB ' ' A' ' 163' ' ' SER . 9.1 t-80 -69.93 -20.11 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.613 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.01 -32.88 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.613 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -114.32 -70.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -39.8 -29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 1.9 t -50.97 109.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -168.67 -44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.669 ' O ' HG21 ' A' ' 201' ' ' VAL . 21.8 m-80 -149.65 -49.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.634 ' CZ2' ' HB2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -80.05 96.71 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.658 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.4 mm-40 -64.89 96.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 198' ' ' LEU . 1.4 m -74.52 138.51 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.51 ' CG2' HG13 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -129.56 142.94 50.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 138.03 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.601 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -168.23 170.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.601 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.68 -152.82 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 178.52 172.59 43.05 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pm0 -97.84 171.23 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 54.9 21.41 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 176' ' ' THR . 12.6 t -116.55 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -75.57 -41.08 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -53.57 -30.36 41.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 1.0 OUTLIER -42.2 -39.41 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.9 t -122.26 165.11 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -91.33 -31.89 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -25.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.531 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -64.23 -54.84 27.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.445 ' CD1' HD12 ' A' ' 177' ' ' LEU . 0.7 OUTLIER -74.27 -15.15 60.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -37.53 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.524 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -95.09 -38.81 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 99.39 66.75 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 2.8 mm? -87.73 -52.65 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.63 -1.46 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.337 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 160.68 116.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.487 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -167.28 153.49 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.0 m-20 -77.69 135.06 38.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.495 ' O ' ' O ' ' A' ' 173' ' ' GLY . 7.0 tt0 -122.43 120.88 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -103.22 122.66 45.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 171' ' ' VAL . 11.6 t -111.21 151.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 19.0 m-85 -139.7 114.34 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 169' ' ' THR . 7.8 p -90.72 106.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.658 ' HA ' ' O ' ' A' ' 167' ' ' GLU . 0.1 OUTLIER -103.3 144.33 31.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.3 mt-10 -112.08 97.72 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.3 OUTLIER -63.22 93.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 165' ' ' ASN . 34.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.59 85.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.4 p -131.58 78.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.511 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 3.9 t30 33.75 92.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.68 -35.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 2.4 m-20 -66.38 -52.82 42.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 13' ' ' TRP . 3.3 tm? -52.64 -65.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.8 pp0? -53.94 -31.28 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.55 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.3 tt0 -69.42 -78.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' LEU . 25.1 m-85 -44.08 -54.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.625 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 1.4 t-105 -51.82 -54.33 30.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 7.5 t -48.64 -34.11 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 16' ' ' LEU . 56.5 m -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' TYR . 10.8 mt -35.28 -43.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 17' ' ' ASN . 37.9 t30 60.39 40.56 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.524 ' CG1' ' CB ' ' A' ' 22' ' ' ALA . 87.3 t -41.78 143.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.438 HG21 HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.85 152.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.55 2.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 42' ' ' GLY . . . 104.67 -0.6 42.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.776 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.69 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.708 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -91.25 128.33 37.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.513 ' CG1' HD12 ' A' ' 38' ' ' LEU . 15.9 t -104.37 111.92 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 94' ' ' ALA . 1.3 tm? -87.96 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.535 ' HB ' ' HA3' ' A' ' 47' ' ' GLY . 0.9 OUTLIER -130.35 121.1 19.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.525 ' HD3' ' CD1' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.0 -43.98 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD23 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -169.45 24.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -78.25 -15.79 58.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 66.0 -114.07 6.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -125.12 -98.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.46 -162.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -70.7 -37.82 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.6 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.3 p-10 -53.32 -57.7 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.505 ' CB ' ' HA ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -62.49 -58.23 8.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.469 ' HA ' ' CE ' ' A' ' 35' ' ' MET . 21.7 m -44.43 -37.19 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 63.8 t90 -70.57 -44.52 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.513 HD12 ' CG1' ' A' ' 24' ' ' VAL . 71.8 mt -58.08 -62.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.495 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 64.2 p -50.13 -41.86 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.31 -30.24 75.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -73.46 -38.26 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' A' ' 21' ' ' GLY . . . 114.39 46.2 0.64 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.8 172.7 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 93.22 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 82' ' ' ILE . 77.5 t -75.76 112.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.611 ' CG1' ' HB3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -135.29 127.91 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.758 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 173.82 176.58 42.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HB3' ' CE3' ' A' ' 85' ' ' TRP . . . -111.56 168.28 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -125.06 93.56 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.02 75.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -152.48 130.8 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.84 73.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.19 -41.34 73.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -56.51 -52.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.55 -46.27 90.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -57.88 -37.53 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -66.55 -42.63 86.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CZ ' HG22 ' A' ' 68' ' ' ILE . 3.4 m-30 -68.41 -27.53 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -39.81 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.01 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.463 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 4.0 mtt-85 -84.21 -35.03 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 77.28 40.22 24.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.7 mt-10 77.85 150.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.87 -49.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.19 112.08 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.626 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.571 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 1.9 mm -98.46 138.62 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.52 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.65 149.85 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -113.5 96.13 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.517 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 56.2 mm-40 -85.02 85.09 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.58 -91.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 1.7 t70 -117.09 26.39 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.626 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 21.1 m-85 -136.08 169.48 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -121.52 157.61 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.52 ' HB ' ' CG2' ' A' ' 69' ' ' THR . 26.0 t -141.59 100.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.6 t80 -103.35 101.64 11.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.58 131.64 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 158.23 34.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.95 -55.75 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.506 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -103.32 142.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.611 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -93.88 49.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.506 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.93 122.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.758 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -105.25 101.45 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 2.9 t -70.41 127.31 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 149.35 -106.96 0.34 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.626 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -128.53 163.67 24.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.612 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 2.9 t80 -108.42 107.9 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 166.35 40.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.517 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -152.24 23.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.687 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -149.26 159.96 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.97 101.58 11.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.569 ' HB3' ' HG ' ' A' ' 25' ' ' LEU . . . -56.16 -18.45 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -85.29 -38.77 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 9.0 t0 -64.42 -41.67 96.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.623 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -84.45 -46.13 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -52.24 -68.82 1.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.754 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.4 OUTLIER 47.88 -89.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 76.7 m -135.12 132.53 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.776 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.19 -106.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.625 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -172.96 -173.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -157.34 152.22 25.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 2.0 t80 -123.24 122.89 39.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.596 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -112.9 153.75 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.75 172.09 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.466 ' CB ' ' CD2' ' A' ' 139' ' ' LEU . . . -57.87 100.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.58 -43.06 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.728 ' HA ' ' HD3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -70.59 -7.29 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 151' ' ' PHE . 1.2 pp -87.75 -11.01 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.472 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -103.25 -47.06 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.537 HD21 ' CG ' ' A' ' 116' ' ' MET . 3.4 mp -75.1 164.12 63.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.86 -49.56 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 9.6 t70 -55.52 -60.97 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.603 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 25.4 tpp -51.15 -56.27 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.728 ' HD3' ' HA ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -53.45 -38.18 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 1.2 mt-10 -60.55 -43.32 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.441 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 3.7 mmt180 -73.06 -24.18 60.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.411 ' CD1' ' NH2' ' A' ' 117' ' ' ARG . 1.6 t80 -77.87 -44.55 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 117' ' ' ARG . 1.5 m -66.96 -42.77 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 3.2 pt20 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.457 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 47.5 m170 -63.64 -34.24 77.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.6 OUTLIER -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.578 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -53.3 -26.72 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.447 ' N ' ' OE1' ' A' ' 125' ' ' GLU . . . -72.76 -49.25 32.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.621 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -85.31 -3.21 58.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.638 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.4 mmt -65.16 174.99 1.14 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.754 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.1 Cg_endo -75.02 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 201' ' ' VAL . 9.9 tt0 -110.31 -39.56 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.647 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -141.75 93.57 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -151.63 144.05 24.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.572 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -93.64 107.63 19.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -84.86 143.01 20.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.586 HD12 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -129.92 100.62 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.524 ' CD2' ' SD ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.88 130.19 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 195' ' ' VAL . 13.5 mm -115.47 107.18 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 139' ' ' LEU . 1.2 p -120.91 172.23 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -139.18 176.26 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 141' ' ' TYR . 3.0 tt0 -131.26 -80.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.577 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.6 m-85 -24.36 -81.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.582 ' HB3' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -25.76 139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 6.8 pt20 175.86 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -126.06 50.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.19 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.526 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.5 OUTLIER -91.3 150.49 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 147' ' ' GLU . 0.8 OUTLIER -64.78 102.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.7 125.42 2.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.466 ' CA ' ' HB ' ' A' ' 110' ' ' ILE . 18.2 Cg_endo -75.01 135.46 19.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -89.93 18.05 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 153' ' ' VAL . 5.0 p 41.68 50.16 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 152' ' ' SER . 7.6 p -39.26 114.07 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -74.98 127.87 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.608 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.7 OUTLIER -42.97 -31.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.0 t -57.66 -38.03 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.586 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 75.7 t90 -64.67 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 108.021 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.5 mt -51.88 -28.12 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.702 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.6 OUTLIER -84.8 -21.31 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.4 OUTLIER -84.01 -34.08 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -113.99 -63.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.93 6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 14.2 t -95.23 97.94 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 147.83 60.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.1 m120 151.12 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.02 145.24 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.2 mm-40 -98.97 94.09 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' A' ' 198' ' ' LEU . 0.2 OUTLIER -81.39 131.05 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.524 ' CB ' HG11 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.77 148.57 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.384 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.57 ' N ' HE21 ' A' ' 155' ' ' GLN . 0.2 OUTLIER -66.01 133.47 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -164.12 167.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.62 -139.2 14.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 171.35 157.85 14.13 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -105.78 168.88 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.16 21.94 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 176' ' ' THR . 12.3 t -109.31 74.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 184' ' ' LEU . 2.5 tm? -60.74 -47.86 84.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.89 62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.59 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 36.8 t -159.24 -43.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 30.2 t -91.39 135.66 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.06 29.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -19.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.505 ' CA ' ' CE ' ' A' ' 191' ' ' MET . . . -66.76 -46.73 72.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -85.82 -15.55 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -52.51 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.526 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -84.68 -29.63 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.82 67.47 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 142' ' ' ASP . 3.1 mm? -85.15 -43.5 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 190' ' ' ARG . 3.7 mm-40 59.93 12.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 6.2 ptm180 159.31 104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.507 ' HA ' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -162.42 149.11 13.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 19.6 t0 -82.97 134.09 35.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 30.5 tt0 -116.06 121.55 42.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.497 ' O ' ' OG1' ' A' ' 138' ' ' THR . 31.4 m-70 -106.11 123.14 47.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.586 ' CG1' HD12 ' A' ' 135' ' ' LEU . 21.6 t -117.33 149.55 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 18.0 m-85 -140.37 117.12 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.59 ' CG1' ' O ' ' A' ' 197' ' ' VAL . 0.8 OUTLIER -83.76 103.53 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -100.97 103.92 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.02 99.74 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -66.8 103.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.481 ' N ' HH11 ' A' ' 200' ' ' ARG . 16.9 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.2 pt-20 -140.67 84.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.51 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.8 p -131.9 78.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.647 ' ND2' ' HZ2' ' A' ' 31' ' ' LYS . 8.1 m-20 37.71 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.578 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -49.79 -36.86 27.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' ' HE3' ' A' ' 7' ' ' LYS . 26.8 m-20 -71.64 -26.58 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.819 HD22 ' CE2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -71.15 -66.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' SER . 14.7 pt20 -60.1 -29.55 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.9 tp60 -66.13 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD1' HG21 ' A' ' 197' ' ' VAL . 13.7 m-85 -44.66 -54.15 6.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.701 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 6.5 t-105 -48.52 -55.4 11.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 107.946 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 9.0 t -46.55 -45.43 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 4.6 t -76.05 -49.39 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 1.1 mt -39.46 -56.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 18.2 t-20 67.46 37.22 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.462 HG11 ' CB ' ' A' ' 22' ' ' ALA . 95.8 t -51.13 143.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.539 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 4.7 p -35.46 143.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 90.44 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.26 6.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.776 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -46.88 157.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.748 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -81.91 114.6 20.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.517 ' CG1' HD23 ' A' ' 38' ' ' LEU . 20.3 t -104.46 101.77 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.67 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -94.09 153.96 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 104' ' ' TYR . 19.4 m -156.22 108.4 2.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.588 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 133.99 17.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.616 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER 24.07 49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' PRO . 12.1 t -84.01 -35.25 24.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 34.85 68.22 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.647 ' HZ2' ' ND2' ' A' ' 6' ' ' ASN . 10.4 mttt -117.26 177.77 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.58 -44.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 5' ' ' VAL . 40.3 mm-40 -73.62 -54.12 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -58.06 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -57.85 -62.09 2.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.401 ' H ' ' CG ' ' A' ' 35' ' ' MET . 51.2 m -44.4 -30.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 9.0 t90 -73.41 -45.72 52.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.517 HD23 ' CG1' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -59.06 -66.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -48.88 -48.56 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.39 -22.88 2.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -95.65 -35.65 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.49 68.9 0.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.412 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 16.4 m-85 -135.75 170.57 15.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.86 87.01 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 59.4 t -77.35 96.89 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -115.47 94.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.714 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -130.95 173.22 20.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.619 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -133.32 169.25 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.77 129.96 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.647 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -96.3 69.78 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.46 135.13 15.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -98.11 -46.52 5.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.65 97.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.49 -34.78 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.637 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.5 t -64.26 -52.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.83 -42.68 89.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -61.75 -38.27 87.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -65.41 -40.7 93.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.637 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 3.1 m-30 -69.06 -33.1 73.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -43.33 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 7.8 mtt85 -72.55 -35.42 68.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.19 40.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 76.64 148.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.9 -49.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.98 -176.74 3.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -99.18 113.64 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.638 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.582 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 4.6 mm -102.08 131.17 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.498 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -127.24 155.86 42.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -115.28 103.36 10.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.514 ' OE1' ' HA ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -91.21 84.86 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.77 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLN . 28.5 t0 -123.97 29.82 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 17.7 m-85 -137.98 172.59 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -126.04 152.62 45.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 41.0 t -135.47 102.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.0 t80 -104.94 101.06 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.06 138.19 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.48 157.59 38.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.07 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.01 -57.74 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.466 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -108.6 156.46 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.541 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -100.48 57.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.483 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -107.68 115.8 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.721 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -105.74 103.45 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 3.4 t -74.66 139.79 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 135.78 -96.36 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.636 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t70 -130.15 163.64 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.721 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -119.62 99.79 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.2 OUTLIER 172.62 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . 178.24 40.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.708 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -140.04 -3.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m 43.88 83.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . . . -58.17 -12.57 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.72 -50.34 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.6 -52.69 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.589 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -67.96 -45.61 83.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.576 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -50.38 -77.71 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.663 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 55.67 -87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.682 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 38.6 t -144.61 141.41 29.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.776 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.58 -107.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.701 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -162.21 165.12 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.744 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -149.12 109.32 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.819 ' CE2' HD22 ' A' ' 9' ' ' LEU . 2.9 m-85 -100.29 163.06 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -156.51 164.03 38.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.431 ' CZ ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.32 172.25 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.509 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -41.25 109.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.587 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -142.86 -59.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.491 ' HE3' ' CE ' ' A' ' 162' ' ' MET . 8.1 ptp -65.11 -25.08 67.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -60.83 -19.85 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.24 -63.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -56.08 164.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.06 -179.75 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -60.23 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 t0 -39.25 -54.37 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.606 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 39.7 tpp -60.86 -48.29 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.614 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 37.8 mtp180 -49.02 -48.71 43.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.477 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 12.0 mt-10 -63.94 -40.17 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.44 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 12.8 mmt85 -64.92 -28.8 69.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -78.28 -40.16 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.538 HG22 ' N ' ' A' ' 122' ' ' GLN . 1.4 m -67.33 -41.63 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.538 ' N ' HG22 ' A' ' 121' ' ' VAL . 20.4 pt20 -67.06 -49.46 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 64.8 m170 -58.18 -43.86 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -63.51 -54.59 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.647 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -56.65 -23.67 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.451 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . -72.89 -53.34 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.633 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -84.76 -3.6 58.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.67 ' CE ' ' CD2' ' A' ' 25' ' ' LEU . 2.6 mmt -64.01 175.35 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.666 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.9 OUTLIER -114.71 -39.46 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.672 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.39 93.16 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.519 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -152.71 148.56 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 p -95.46 112.73 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.709 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -92.25 151.55 20.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.75 ' CD1' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -143.36 104.71 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 105' ' ' ASP . 2.6 tp -87.43 141.42 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' ' 195' ' ' VAL . 9.1 mm -120.7 106.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.512 HG21 ' CG2' ' A' ' 110' ' ' ILE . 64.0 p -118.16 174.97 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.528 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -142.71 172.56 12.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.1 tt0 -126.12 -78.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.569 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.5 m-85 -25.39 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.1 OUTLIER -26.74 143.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 8.5 pt20 169.97 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.38 46.19 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 179.3 -31.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.513 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.5 OUTLIER -89.34 155.21 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.3 106.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.97 150.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.72 3.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 142' ' ' ASP . 18.5 Cg_endo -74.95 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.518 ' O ' ' C ' ' A' ' 152' ' ' SER . 8.1 t80 -75.88 83.1 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.518 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.5 OUTLIER -28.64 104.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.522 HG21 ' CG2' ' A' ' 110' ' ' ILE . 2.1 t -78.33 123.56 85.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.2 Cg_endo -75.04 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.567 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 5.2 mp0 -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 160' ' ' ARG . 3.8 t -63.73 -38.48 91.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.614 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.1 t90 -61.58 -56.09 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 107.992 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' MET . 0.5 OUTLIER -48.28 -47.2 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 163' ' ' SER . 6.9 t-160 -69.09 -21.58 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.511 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -80.79 -24.98 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.511 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -113.4 -60.55 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.717 ' SD ' ' CE2' ' A' ' 166' ' ' TRP . 6.9 mtt -70.59 5.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -38.95 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.618 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . -87.83 109.66 3.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.618 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.9 m-20 146.79 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.749 ' CD1' ' N ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -146.61 130.89 17.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.5 mt-10 -73.95 84.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 168' ' ' VAL . 1.5 m -71.33 131.96 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.5 OUTLIER -131.92 148.7 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.451 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -76.23 137.22 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.604 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -163.12 170.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 108.84 -157.29 15.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -170.75 161.16 33.97 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.474 ' CB ' ' CG ' ' A' ' 192' ' ' ASP . 0.4 OUTLIER -101.89 160.98 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.68 14.26 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 176' ' ' THR . 14.0 t -110.49 74.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.529 HD11 ' CA ' ' A' ' 189' ' ' GLU . 1.5 tm? -84.5 -34.03 23.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -74.84 47.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 177' ' ' LEU . 3.1 t -139.93 -42.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 163.5 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -91.89 -58.62 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.62 -30.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.416 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -66.81 -63.03 4.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.08 -15.33 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.69 -61.56 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.513 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -64.85 -34.82 79.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.46 66.39 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.553 ' CD1' ' CD2' ' A' ' 145' ' ' LEU . 2.5 mm? -86.81 -52.99 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.529 ' CA ' HD11 ' A' ' 177' ' ' LEU . 0.0 OUTLIER 75.59 -6.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 23.0 ptt180 175.2 122.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.469 ' HB2' ' HB2' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -175.87 155.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.474 ' CG ' ' CB ' ' A' ' 174' ' ' GLN . 24.1 t0 -80.28 125.86 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' GLY . 56.7 tt0 -109.16 121.6 45.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.435 ' O ' ' OG1' ' A' ' 138' ' ' THR . 53.8 m-70 -110.43 122.72 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.721 ' CG1' HD22 ' A' ' 135' ' ' LEU . 10.8 t -117.04 158.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 8.9 m-85 -146.84 133.21 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.662 HG21 ' CD1' ' A' ' 12' ' ' TYR . 11.0 t -104.09 109.53 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.667 ' N ' ' CD2' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.89 113.97 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.8 tt0 -78.8 96.66 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.636 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -61.86 104.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.636 ' N ' HH11 ' A' ' 200' ' ' ARG . 17.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 2.2 pt-20 -140.47 85.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.3 p -131.53 78.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.49 ' HA ' ' CB ' ' A' ' 179' ' ' SER . 1.8 m120 39.46 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -39.4 -45.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -62.16 -48.97 77.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.587 HD21 ' CE3' ' A' ' 13' ' ' TRP . 2.6 tm? -49.78 -65.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.7 pt20 -55.47 -33.81 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.34 -81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 69.4 m-85 -44.22 -54.25 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.587 ' CE3' HD21 ' A' ' 9' ' ' LEU . 4.5 t-105 -48.68 -61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 20.0 m -45.33 -46.83 13.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -26.48 63.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -64.81 -46.42 82.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.74 49.39 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.458 HG12 HG21 ' A' ' 19' ' ' VAL . 47.5 t -59.39 145.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.489 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.03 149.68 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.81 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 108.18 -1.89 33.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.768 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.57 154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.722 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 33.4 mmt-85 -82.53 122.0 27.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.54 ' CG1' HD13 ' A' ' 38' ' ' LEU . 24.3 t -107.55 112.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.581 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 2.2 tm? -93.14 134.34 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.734 HG23 ' HA3' ' A' ' 47' ' ' GLY . 1.9 m -130.71 98.19 20.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.646 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.3 Cg_endo -75.03 110.85 3.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 38.07 30.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.73 -35.38 79.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.278 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 33.9 61.36 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -108.11 -157.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -157.36 -45.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 32' ' ' SER . 36.7 mm-40 -72.63 -39.2 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.77 -58.18 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 36' ' ' SER . 4.2 ppp? -60.76 -40.46 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.448 ' N ' ' SD ' ' A' ' 35' ' ' MET . 47.8 t -63.51 -35.78 81.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CE3' HD21 ' A' ' 38' ' ' LEU . 70.4 t90 -67.94 -51.88 42.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.54 HD13 ' CG1' ' A' ' 24' ' ' VAL . 7.3 mt -57.69 -67.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -42.61 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.04 91.94 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 32.2 tp60 -79.39 -20.5 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.761 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.95 79.67 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -145.07 165.77 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.604 ' CG ' ' NH1' ' A' ' 23' ' ' ARG . 5.9 m-70 -91.07 81.2 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 38' ' ' LEU . 93.3 t -75.68 109.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 83' ' ' GLU . 1.4 p -136.33 110.32 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.734 ' HA3' HG23 ' A' ' 26' ' ' VAL . . . -149.71 -172.03 18.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.744 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -137.91 168.68 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.593 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.16 125.39 41.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.721 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 1.8 mm? -88.99 65.26 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.606 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 35.8 t -153.3 107.97 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HA ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.41 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.19 -32.49 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.541 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -63.58 -49.7 72.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.65 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -58.04 -37.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.553 ' N ' HG23 ' A' ' 55' ' ' VAL . 13.5 mt-10 -64.79 -48.73 73.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 4.6 tpt180 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.416 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 1.8 m-30 -74.85 -36.99 62.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 5.2 m-30 -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 3.8 mm-40 -71.13 -41.6 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -81.22 -36.24 30.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.14 38.63 14.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 13.5 mt-10 69.88 152.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 159.26 -47.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.97 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.43 113.58 26.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.7 mm -103.75 118.6 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.56 148.6 43.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 p -98.58 141.51 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -137.65 85.38 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.87 -99.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.08 35.12 3.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 30.2 m-85 -149.89 173.17 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.574 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.2 OUTLIER -133.67 163.77 28.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.6 m -142.61 112.48 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.694 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.23 104.58 13.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.98 130.4 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.19 156.1 35.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.44 -55.44 0.75 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.455 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -106.95 154.52 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.07 50.83 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.576 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -104.77 114.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.744 ' CD2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.11 105.39 15.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.415 ' SG ' HG11 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.85 140.86 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 131.15 -97.58 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 12.2 t70 -129.64 163.97 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.721 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -128.14 97.64 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 178.04 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -176.33 42.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.648 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -137.94 -34.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.509 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 2.5 m 78.4 79.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.504 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -56.73 -12.64 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 127' ' ' LEU . 10.4 ttt180 -76.42 -50.63 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.34 -48.6 72.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.631 ' CG2' ' CD2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -66.46 -43.28 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.496 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -56.47 -76.05 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.725 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 2.1 m170 56.93 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.682 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 31.4 p -139.77 137.06 34.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.768 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.16 -109.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.572 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -171.53 -177.8 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.667 ' CE2' ' HA3' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -160.98 133.1 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.646 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 70.7 t80 -97.84 116.16 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.524 ' OD1' ' CZ ' ' A' ' 106' ' ' ARG . 2.4 t0 -94.74 146.77 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.577 ' HD2' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -106.16 172.67 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.557 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -78.07 87.68 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.502 ' HB1' ' NH1' ' A' ' 106' ' ' ARG . . . -121.09 -38.88 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.544 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -66.18 -27.45 68.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.557 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -73.21 -12.27 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.07 -23.14 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.564 HD21 ' CG ' ' A' ' 116' ' ' MET . 3.8 mp -95.33 166.02 15.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.99 -173.04 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -68.78 -67.66 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -39.61 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.564 ' CG ' HD21 ' A' ' 112' ' ' LEU . 13.8 tpp -52.16 -45.54 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.654 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 5.6 mtm180 -55.35 -39.28 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.44 ' CD ' HG23 ' A' ' 161' ' ' VAL . 1.1 mt-10 -65.43 -48.92 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -67.97 -19.3 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.433 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 0.6 OUTLIER -77.86 -56.76 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.499 ' HB ' ' CG ' ' A' ' 162' ' ' MET . 1.3 m -60.02 -39.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.529 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.3 pt20 -66.72 -48.13 70.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.0 m170 -54.0 -40.79 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -65.71 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.68 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 6.1 mm-40 -52.79 -18.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.56 -54.99 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.596 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -90.61 14.31 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.635 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.3 mmt -79.84 174.71 5.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.725 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.06 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 201' ' ' VAL . 7.6 pt20 -111.37 -37.67 5.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -143.96 94.46 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.559 ' HB2' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -149.09 149.81 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.548 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -92.95 109.75 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.667 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -89.27 149.27 20.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.56 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 6.6 tp -140.2 99.07 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -83.82 127.16 33.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 41.4 mm -112.81 106.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 28.1 p -118.08 178.22 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.506 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.57 172.21 14.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 141' ' ' TYR . 37.2 tt0 -132.25 -82.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.572 ' C ' ' O ' ' A' ' 140' ' ' GLU . 70.8 t80 -22.32 -73.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -31.15 146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 141' ' ' TYR . 11.5 pt20 174.6 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.435 ' N ' HD13 ' A' ' 145' ' ' LEU . . . -121.83 52.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.727 ' N ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -22.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.62 ' N ' HD11 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -96.27 127.15 42.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.464 ' N ' HD13 ' A' ' 146' ' ' LEU . 55.7 mm-40 -46.38 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.1 129.39 3.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.776 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.439 ' HG3' ' OD2' ' A' ' 142' ' ' ASP . 18.3 Cg_endo -75.03 130.39 13.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.38 8.01 12.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.3 p 48.76 55.3 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.8 p -40.63 121.05 1.74 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.513 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.0 121.42 6.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -40.26 -44.28 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -49.96 -43.22 50.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.677 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 44.6 t90 -63.15 -51.04 68.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.653 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -54.25 -33.1 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.677 ' O ' ' CB ' ' A' ' 163' ' ' SER . 4.9 t60 -84.62 -17.44 38.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.5 OUTLIER -82.31 -36.77 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.677 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.1 -60.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.653 ' CB ' ' O ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -56.89 6.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 42.1 t -100.65 107.63 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.564 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.96 59.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 8.6 m-20 151.65 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -145.91 128.85 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 107.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.0 OUTLIER -78.47 94.11 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.479 HG12 ' CD2' ' A' ' 198' ' ' LEU . 33.7 m -79.34 131.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -131.7 137.28 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.43 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.402 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 22.9 pttt -61.24 141.62 57.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.568 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -173.46 168.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 112.92 -165.75 12.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.545 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -149.05 176.59 27.75 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 26.4 pt20 -114.95 139.54 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . 0.421 ' HA ' ' N ' ' A' ' 191' ' ' MET . 0.8 OUTLIER 64.8 11.85 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.416 HG23 ' HA3' ' A' ' 173' ' ' GLY . 7.7 t -116.86 73.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.641 HD13 ' N ' ' A' ' 178' ' ' HIS . 0.2 OUTLIER -92.24 -11.42 35.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . 0.641 ' N ' HD13 ' A' ' 177' ' ' LEU . 70.4 m-70 -46.29 -27.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -71.13 -40.87 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -86.97 157.15 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -92.5 -42.24 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -42.18 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 188' ' ' LEU . . . -66.93 -50.48 46.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -73.9 -14.57 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -41.02 28.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.483 ' CB ' HD11 ' A' ' 188' ' ' LEU . . . -87.49 -40.01 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.29 66.28 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -113.57 -31.52 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 6.9 pm0 38.9 39.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.6 ' H ' ' CD2' ' A' ' 177' ' ' LEU . 0.7 OUTLIER 153.38 112.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 177' ' ' LEU . 1.8 ptt? -175.48 145.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.9 m-20 -54.28 108.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 173' ' ' GLY . 27.2 tt0 -102.65 105.08 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 138' ' ' THR . 9.6 m-70 -91.95 149.32 21.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.513 ' CG2' ' CD1' ' A' ' 137' ' ' ILE . 46.4 t -147.46 146.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 169' ' ' THR . 8.0 m-85 -141.64 117.25 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.487 HG11 ' CG2' ' A' ' 169' ' ' THR . 2.4 p -83.76 112.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.619 ' CD2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -106.98 104.0 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.84 95.65 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -61.9 99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 25.7 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.55 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 6' ' ' ASN . 2.4 p -131.74 143.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.496 ' ND2' ' OD2' ' A' ' 8' ' ' ASP . 1.2 t30 -32.54 116.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -57.83 -39.83 78.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.496 ' OD2' ' ND2' ' A' ' 6' ' ' ASN . 2.9 m-20 -64.31 -46.52 83.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 2.2 tm? -53.08 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.2 pt20 -56.43 -28.95 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 3.9 tp-100 -67.76 -81.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.727 ' O ' ' N ' ' A' ' 16' ' ' LEU . 55.4 m-85 -43.97 -54.55 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.695 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 2.3 t-105 -49.45 -55.34 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.9 m -48.41 -36.15 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 6.9 t -88.04 -53.84 4.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.727 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.4 mp -39.2 -42.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 47.18 36.17 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.2 p -47.28 153.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 18' ' ' VAL . 5.3 m -34.45 144.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 106.64 -3.49 36.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.772 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.63 156.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.743 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 31.4 mmt-85 -81.87 123.85 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG1' HD13 ' A' ' 38' ' ' LEU . 47.6 t -106.38 114.83 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -103.95 139.95 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.642 HG21 ' O ' ' A' ' 26' ' ' VAL . 7.4 m -142.46 106.23 5.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.93 124.24 8.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.615 ' CB ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 26.3 54.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -110.93 -35.33 5.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.2 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER 58.54 -151.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.263 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.421 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -163.74 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 12.4 mm-40 -73.72 -47.57 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t70 -52.24 -58.59 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.451 ' HG3' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -61.0 -62.48 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.451 ' H ' ' HG3' ' A' ' 35' ' ' MET . 30.4 t -43.68 -32.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.453 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 30.7 t90 -69.25 -53.5 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.485 HD13 ' CG1' ' A' ' 24' ' ' VAL . 4.8 mt -61.04 -66.78 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 -44.76 4.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.67 65.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LEU . 3.8 mm-40 -80.82 -30.81 35.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.64 59.4 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.44 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 9.0 m-85 -126.21 171.23 11.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.468 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -82.65 80.59 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.91 103.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.511 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.2 p -135.39 143.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.763 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -179.79 -176.8 47.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.584 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -130.83 168.79 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -129.62 129.58 44.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.615 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -97.34 68.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.0 p -152.29 133.42 14.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.15 -47.59 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.41 97.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.95 82.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.705 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 4.7 t -61.65 -54.41 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -42.55 84.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -40.86 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.705 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 2.6 m-30 -69.33 -34.97 75.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.78 -42.43 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.51 -46.11 87.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' CZ ' ' OH ' ' A' ' 77' ' ' TYR . 6.8 mtt-85 -75.85 -38.97 57.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.64 34.84 18.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 77.48 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 158.21 -48.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.0 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -107.56 112.03 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.536 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.608 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 7.4 mm -94.69 131.66 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.61 142.89 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -116.16 92.97 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -96.64 98.74 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.9 -107.4 1.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -111.95 6.43 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.665 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 14.2 m-30 -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -107.89 158.31 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 31.4 t -139.82 101.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.6 t80 -103.84 101.43 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.69 139.01 38.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.37 157.48 42.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.4 -57.89 0.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -107.32 157.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.47 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -102.04 55.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.489 HD12 ' C ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -108.05 121.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.763 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.21 105.76 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 1.8 t -76.85 138.88 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 55' ' ' VAL . . . 139.06 -97.45 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.665 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -134.66 163.67 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.611 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 2.2 t80 -118.4 106.73 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 161.86 48.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' HB3' ' NE2' ' A' ' 71' ' ' GLN . . . -141.96 -41.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.739 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.64 -175.62 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.482 ' N ' HD21 ' A' ' 92' ' ' LEU . 1.7 m -123.85 89.14 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.535 ' CB ' HD11 ' A' ' 127' ' ' LEU . . . -52.44 -16.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.16 -48.73 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.75 -45.48 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.562 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -69.24 -48.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -58.29 -75.89 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.661 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.6 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.64 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.676 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 37.3 t -143.83 137.07 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.772 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.28 -112.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.695 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -167.23 -178.27 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.722 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.1 p90 -162.62 142.84 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.544 ' CZ ' HG13 ' A' ' 137' ' ' ILE . 10.6 t80 -105.34 114.78 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 136' ' ' LEU . 6.8 m-20 -93.14 130.33 38.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 0.5 OUTLIER -100.6 155.52 17.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.552 ' CB ' ' CD1' ' A' ' 139' ' ' LEU . . . -54.87 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.496 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -121.24 -55.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.728 ' HG3' ' CZ ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -65.42 -16.5 63.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.528 HD12 ' CB ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -71.03 -21.89 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -78.33 -49.02 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.571 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -66.69 169.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.571 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -74.99 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -75.57 -63.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -39.72 -59.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.686 ' O ' ' HG3' ' A' ' 119' ' ' ARG . 16.0 tpp -55.05 -46.94 75.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.755 ' CG ' ' CH2' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -55.04 -37.28 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 0.4 OUTLIER -65.71 -58.48 5.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -60.32 -17.57 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -79.15 -46.8 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 117' ' ' ARG . 1.4 m -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 13.3 pt20 -67.43 -50.23 60.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.535 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 24.6 m170 -58.15 -42.83 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -63.35 -61.24 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.645 ' HG2' ' CD2' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -54.89 -20.52 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.57 -56.49 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.625 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -82.84 -3.23 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.674 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.1 mmt -65.91 175.24 1.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.674 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.1 Cg_endo -74.99 -160.13 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 201' ' ' VAL . 29.0 tp60 -110.85 -44.52 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -137.62 94.19 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . 32.3 m -150.99 149.88 30.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -97.75 111.12 23.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.722 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -92.07 157.13 24.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -140.0 102.67 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 4.3 tp -82.63 135.42 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.55 HD11 ' CG1' ' A' ' 195' ' ' VAL . 2.5 mm -125.05 110.76 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.518 ' CG2' HD23 ' A' ' 136' ' ' LEU . 29.1 p -119.45 168.91 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.552 ' CD1' ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -132.47 157.28 45.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.528 ' HG3' ' N ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -122.15 -34.32 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -69.84 -83.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.548 ' OD2' ' CD2' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -31.03 144.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.4 pt20 170.73 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.626 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.88 53.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.626 ' HB3' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER 174.56 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 147' ' ' GLU . 0.8 OUTLIER -97.17 131.34 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.477 ' N ' HD13 ' A' ' 146' ' ' LEU . 8.3 pt-20 -48.57 113.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.19 109.49 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -74.96 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.422 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 159.15 41.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 152' ' ' SER . 26.6 m-85 -117.97 22.0 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 152' ' ' SER . 0.6 OUTLIER 36.14 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.477 ' O ' ' OH ' ' A' ' 196' ' ' TYR . 3.4 t -74.3 122.35 87.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.4 Cg_endo -74.95 119.56 5.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 196' ' ' TYR . 6.2 tm0? -42.61 -36.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 t -56.33 -38.76 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.769 ' CH2' HG12 ' A' ' 161' ' ' VAL . 44.8 t90 -60.16 -52.65 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.539 HD23 ' CG ' ' A' ' 162' ' ' MET . 1.4 mt -53.68 -37.13 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 163' ' ' SER . 3.9 t60 -76.66 -20.41 56.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.563 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.651 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.27 -35.99 27.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.769 HG12 ' CH2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -113.32 -72.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.7 ' SD ' ' CE2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -39.29 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -48.89 115.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 110.3 75.71 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 15.2 m-20 145.71 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CE2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.84 137.59 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -92.54 94.26 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.472 HG12 ' CD2' ' A' ' 198' ' ' LEU . 29.5 m -76.77 132.53 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -124.24 124.13 41.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.435 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 124.39 14.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.683 ' CG2' ' H ' ' A' ' 172' ' ' GLY . 13.6 p -164.06 -172.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.683 ' H ' ' CG2' ' A' ' 171' ' ' VAL . . . 116.86 -156.1 15.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.41 138.65 5.96 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 176' ' ' THR . 33.5 mt-30 -102.35 158.6 16.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 t0 49.26 21.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.602 ' O ' ' CG2' ' A' ' 176' ' ' THR . 6.3 t -111.48 74.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 177' ' ' LEU . 0.7 OUTLIER -73.67 -36.53 65.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 55.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 177' ' ' LEU . 69.1 m -156.3 -43.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 9.1 t -84.72 109.3 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -48.78 -59.84 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 5.9 mmp_? -39.39 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' ALA . . . -66.56 -63.79 3.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.446 ' CD1' HD13 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -60.56 -14.6 20.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -45.15 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 146' ' ' LEU . . . -82.92 -36.07 25.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.82 65.2 0.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 2.9 mm? -84.19 -52.61 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.461 ' CA ' HD11 ' A' ' 177' ' ' LEU . 0.0 OUTLIER 76.66 -1.55 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 167.12 116.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.58 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -164.86 150.75 10.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -91.28 126.93 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 138' ' ' THR . 20.5 tt0 -118.17 120.41 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 138' ' ' THR . 1.0 OUTLIER -103.35 122.7 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.567 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 171' ' ' VAL . 0.7 OUTLIER -119.36 165.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 5.0 m-85 -152.35 132.3 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.604 HG23 ' CD2' ' A' ' 12' ' ' TYR . 2.7 t -85.25 107.87 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.5 HD21 ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -101.18 105.08 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.57 94.97 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -63.71 100.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.0 84.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.2 p -131.73 78.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.453 ' ND2' ' OG ' ' A' ' 179' ' ' SER . 0.6 OUTLIER 37.52 89.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -41.07 -39.48 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 54.7 m-20 -65.48 -56.06 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.569 HD21 ' CE3' ' A' ' 13' ' ' TRP . 2.3 tm? -45.39 -65.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -54.44 -34.37 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.07 -79.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.66 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 15.1 t -42.69 -36.25 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -81.51 -49.61 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -40.07 -44.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 25.3 t-20 67.81 44.18 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 22' ' ' ALA . 45.9 t -52.79 134.39 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.91 147.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.14 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.14 -5.79 27.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.741 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -39.46 155.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.715 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 9.0 mmt85 -81.1 124.14 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 38' ' ' LEU . 30.6 t -106.04 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.548 ' CD2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 tm? -107.64 138.23 44.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.657 HG23 ' HA3' ' A' ' 47' ' ' GLY . 1.9 m -139.86 102.91 6.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.583 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 124.96 8.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.583 ' C ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.93 55.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 38.7 t -81.87 -35.38 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 49' ' ' GLU . . . 76.18 24.32 69.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? 70.18 145.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -165.44 168.3 16.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 5' ' ' VAL . 32.2 mm-40 -53.05 -32.69 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' CG ' ' CD1' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -60.3 -58.12 9.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.403 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.65 -46.9 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -32.56 74.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -65.53 -38.36 89.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD1' HG11 ' A' ' 24' ' ' VAL . 6.2 mt -65.32 -62.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.3 m -46.71 -38.59 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -29.76 69.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -80.49 -36.35 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.87 68.83 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -133.67 173.54 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.36 75.57 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 38' ' ' LEU . 85.0 t -68.4 112.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' CB ' ' HB3' ' A' ' 83' ' ' GLU . 1.9 p -142.84 112.89 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.74 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -151.76 -172.01 20.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.668 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -142.65 162.11 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.26 137.66 54.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.717 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -94.81 66.57 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.674 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 38.8 t -152.16 139.77 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -97.93 -64.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.238 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.83 -26.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -68.57 -45.86 70.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.745 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.14 -48.02 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 4.3 mt-10 -61.09 -47.28 87.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -61.06 -29.17 69.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.9 m-30 -72.07 -44.67 62.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.745 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 1.1 m-30 -65.04 -34.78 79.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -29.96 29.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.2 mm-40 -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -89.25 -32.87 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.78 40.34 96.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -118.03 -42.99 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 65.49 79.7 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.715 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -155.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -65.46 84.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.568 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.9 mm -87.95 127.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.465 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.87 151.63 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 m -108.32 107.48 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.55 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.17 -109.21 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.98 28.31 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 46.3 m-85 -142.62 173.44 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -124.73 169.01 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.524 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 97.3 t -142.74 97.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.728 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.0 t80 -95.84 100.75 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -110.04 120.8 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.02 155.16 47.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.85 -53.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.474 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -120.41 172.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.532 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -103.36 48.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -107.01 124.16 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.74 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -110.49 105.49 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 1.8 t -74.46 133.91 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.539 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 137.85 -101.18 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.579 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 13.8 p-10 -118.7 163.99 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.717 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -127.04 94.67 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.57 57.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.24 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.65 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -139.17 -34.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.523 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 1.5 m 73.85 75.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.548 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -55.12 -12.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -75.41 -50.53 15.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -56.48 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -62.5 -36.67 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' ARG . . . -59.84 -78.75 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.622 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.7 t-160 62.72 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.603 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 31.9 p -143.89 143.76 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.741 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.02 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.605 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -169.47 179.53 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.7 p90 -160.38 139.5 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.58 ' CD1' ' CG ' ' A' ' 34' ' ' ASP . 9.9 t80 -97.9 118.37 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.491 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -97.65 127.05 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.94 8.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.568 ' CB ' ' CD1' ' A' ' 139' ' ' LEU . . . -72.99 87.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.72 -36.87 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.617 ' CA ' ' HD3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -64.27 -35.34 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.483 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -69.96 -3.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.09 -40.05 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.669 HD21 ' CG ' ' A' ' 116' ' ' MET . 3.5 mp -86.47 164.26 38.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.536 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.3 Cg_endo -74.96 -158.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -80.17 -66.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 3.9 t70 -39.8 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.669 ' CG ' HD21 ' A' ' 112' ' ' LEU . 6.7 tpp -51.48 -37.33 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.865 ' CZ ' ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -58.0 -61.34 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.427 ' CG ' HG23 ' A' ' 161' ' ' VAL . 2.4 mt-10 -49.72 -39.52 37.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -71.91 -26.42 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 117' ' ' ARG . 45.4 t80 -77.78 -57.83 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.51 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 1.5 m -56.45 -43.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 8.4 pt20 -65.1 -48.76 72.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 31.6 m170 -57.55 -38.45 74.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.506 HD12 ' CE ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -67.74 -64.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.541 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -50.68 -20.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.71 -54.37 6.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -87.24 5.6 37.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.638 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.9 mmt -73.09 174.38 4.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 tt0 -105.04 -45.86 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.649 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.65 97.97 3.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 60.2 m -147.34 156.25 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.47 107.69 19.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.682 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -88.51 149.96 21.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.553 ' CD1' HG21 ' A' ' 197' ' ' VAL . 12.4 tp -139.74 102.88 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.501 ' CD2' ' SD ' ' A' ' 109' ' ' MET . 0.3 OUTLIER -83.78 142.52 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.56 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 5.1 mm -130.64 95.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.472 HG23 ' CG1' ' A' ' 153' ' ' VAL . 19.1 p -104.08 170.7 7.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.597 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -139.67 177.72 7.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -134.35 -81.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.579 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.9 m-85 -23.28 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.579 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -26.22 139.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.9 OUTLIER 175.0 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -118.58 47.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 177.98 -31.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.501 HD12 ' CB ' ' A' ' 186' ' ' ALA . 3.9 tp -89.64 130.08 35.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -40.8 110.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.65 131.61 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.39 5.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.479 ' HG2' ' O ' ' A' ' 142' ' ' ASP . 18.5 Cg_endo -74.98 138.97 23.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -94.34 18.91 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.6 p 38.07 52.84 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' A' ' 138' ' ' THR . 9.1 p -37.55 116.42 0.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.567 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.6 Cg_endo -74.91 112.85 3.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -33.33 -44.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.517 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 5.0 t -44.48 -39.73 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.753 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 66.9 t90 -65.81 -42.18 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 162' ' ' MET . 7.0 mp -57.04 -41.58 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.539 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.5 t-80 -79.47 -18.5 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -78.67 -37.96 40.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.74 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.76 -70.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -37.92 -29.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 5.8 t -53.78 98.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.13 -58.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.612 ' O ' HG21 ' A' ' 201' ' ' VAL . 26.1 m-80 -134.07 -48.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.651 ' CZ2' ' HG2' ' A' ' 162' ' ' MET . 0.1 OUTLIER -77.45 97.98 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -63.06 95.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 166' ' ' TRP . 3.2 m -70.26 126.66 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -123.34 154.09 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -72.26 136.57 46.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.537 ' O ' ' O ' ' A' ' 195' ' ' VAL . 38.5 t -155.48 159.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.403 ' N ' ' CG1' ' A' ' 171' ' ' VAL . . . 51.09 -150.27 6.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 140.09 -77.92 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 176' ' ' THR . 0.0 OUTLIER -36.24 147.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 5.2 p-10 -67.12 71.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.488 ' OG1' ' CD2' ' A' ' 178' ' ' HIS . 3.1 t -89.33 73.62 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -55.46 -39.8 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . 0.488 ' CD2' ' OG1' ' A' ' 176' ' ' THR . 3.6 p-80 -53.83 -21.87 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.453 ' OG ' ' ND2' ' A' ' 6' ' ' ASN . 8.5 t -69.74 -68.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 85.6 p -81.95 136.65 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -71.65 -29.11 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -64.9 -61.55 5.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 177' ' ' LEU . 1.3 mm? -68.76 -18.46 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.501 ' CB ' HD12 ' A' ' 146' ' ' LEU . . . -81.5 -29.46 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.04 74.34 1.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 3.6 mm? -88.96 -52.88 4.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.753 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 80.27 -4.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 2.4 mtt180 159.56 106.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.509 ' O ' ' HA ' ' A' ' 175' ' ' ASP . 0.0 OUTLIER -148.37 141.2 24.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.9 OUTLIER -58.59 132.72 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.455 ' HB2' ' CE ' ' A' ' 191' ' ' MET . 49.1 tt0 -129.71 116.01 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' A' ' 138' ' ' THR . 58.8 m80 -107.23 123.13 47.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.665 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 32.2 t -113.15 161.67 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.665 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 19.8 m-85 -151.68 146.7 25.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 135' ' ' LEU . 14.0 t -106.34 105.07 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.678 ' N ' ' CD2' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.05 99.61 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.11 95.04 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -63.55 87.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 165' ' ' ASN . 29.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -140.54 86.89 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.544 ' O ' ' O ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -131.94 78.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 36.58 96.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' CE ' ' HA3' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -46.84 -35.29 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.407 ' CG ' HG22 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -65.41 -48.43 72.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.563 HD21 ' CE3' ' A' ' 13' ' ' TRP . 3.1 tm? -55.4 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -55.6 -28.28 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.6 tt0 -67.49 -80.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 16' ' ' LEU . 51.3 m-85 -44.07 -54.89 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.615 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -49.7 -52.64 29.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.6 m -50.68 -36.74 37.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -88.34 -62.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.7 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.7 mt -34.89 -52.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 45.8 t-20 65.15 39.51 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 19' ' ' VAL . 80.3 t -41.43 142.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.485 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -39.97 149.47 0.28 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 110.96 -10.02 29.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.761 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.03 156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.72 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 12.1 tpp180 -80.94 117.76 21.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.515 ' CG1' HD13 ' A' ' 38' ' ' LEU . 21.5 t -104.99 102.01 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 103' ' ' PHE . 1.9 tm? -87.03 135.18 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 32.3 m -140.35 103.3 6.61 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.708 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 139.36 24.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 17.36 56.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -82.76 -35.1 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 80.94 24.94 57.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' GLY . 19.4 ttmt 49.1 97.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' A' ' 181' ' ' ALA . 0.5 OUTLIER -117.24 -176.43 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.944 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.428 ' O ' HG23 ' A' ' 5' ' ' VAL . 84.5 mm-40 -52.16 -29.86 24.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CG ' ' CD2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -63.86 -58.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.508 ' CE ' HG13 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -53.34 -39.7 64.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -71.31 -31.02 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 17.1 t90 -72.79 -35.07 67.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.515 HD13 ' CG1' ' A' ' 24' ' ' VAL . 12.0 mt -72.04 -57.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.5 t -53.26 -39.88 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.58 91.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 1.3 mm-40 -70.06 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.83 54.24 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.419 1.074 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -117.72 173.97 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 21' ' ' GLY . 16.5 m170 -93.88 78.72 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG1' HD12 ' A' ' 82' ' ' ILE . 95.2 t -73.43 119.0 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -142.93 102.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.717 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -137.16 -172.67 12.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.537 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -134.24 168.76 18.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -128.41 129.64 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.89 71.74 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.427 ' OG ' ' OE1' ' A' ' 49' ' ' GLU . 17.3 m -152.14 134.32 15.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 56' ' ' GLU . 1.8 mp0 -97.07 -43.22 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.61 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -59.45 -34.94 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.62 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.2 t -65.27 -49.8 76.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -60.21 -44.6 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -58.24 -41.56 84.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -62.61 -43.34 99.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.62 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 3.7 m-30 -74.93 -18.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -81.96 -37.92 25.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 -41.98 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -82.41 -32.4 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 66.92 45.09 86.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.1 mt-10 77.55 144.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.617 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER 156.38 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.98 171.84 17.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 95.75 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.539 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 24.3 mm -97.75 119.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.456 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -126.25 143.33 51.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m -84.96 141.76 30.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -143.51 85.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.99 -112.01 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t0 -100.51 37.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 0.723 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CG ' ' HB2' ' A' ' 88' ' ' ASP . 67.8 m-85 -159.0 173.4 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.653 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 ttmt -128.5 169.79 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.567 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.1 m -142.99 110.38 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.713 ' CD2' ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -104.75 101.37 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.35 160.95 14.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.09 157.81 72.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.13 9.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.12 -49.05 6.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.436 HD12 ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -122.22 158.41 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -100.23 53.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.549 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -106.69 111.03 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.717 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -98.9 100.58 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.976 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.53 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 9.1 t -71.56 141.88 50.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.4 -99.25 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.561 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 2.8 t70 -128.2 163.62 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.716 ' HA ' ' CZ3' ' A' ' 85' ' ' TRP . 9.7 t80 -121.6 108.63 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 160.31 47.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.1 -44.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.734 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.41 -178.71 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.505 ' O ' ' CG2' ' A' ' 97' ' ' ILE . 3.9 m -126.38 80.17 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -44.35 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.1 ttt180 -76.78 -55.39 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.73 -52.18 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.512 ' O ' ' NE ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.86 -50.73 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -52.18 -78.65 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.58 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.1 t-160 71.17 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.774 . . . . 0.0 109.568 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.728 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 56.8 m -145.01 143.16 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.761 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.6 -108.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.615 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -165.65 176.84 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.629 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -152.73 120.6 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.615 ' CZ ' HG13 ' A' ' 137' ' ' ILE . 72.2 t80 -100.49 132.92 45.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 4.7 t0 -126.1 155.97 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.6 172.11 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 137' ' ' ILE . . . -50.92 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.43 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -134.44 -66.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.519 ' HA ' ' CG ' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -55.58 -24.94 35.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.492 ' CG2' HG21 ' A' ' 138' ' ' THR . 2.8 pp -59.76 -28.79 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.7 -55.94 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -63.62 166.34 9.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.601 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 178.11 7.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -57.67 -65.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -38.88 -53.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.612 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 37.2 tpp -61.93 -42.62 99.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.65 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -55.72 -42.79 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 3.8 mt-10 -65.76 -45.0 84.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 1.0 OUTLIER -65.76 -26.11 67.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.463 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 12.8 t80 -74.73 -53.42 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 122' ' ' GLN . 1.8 m -60.07 -47.71 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.52 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 2.5 pt20 -59.61 -47.41 85.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 20.2 m170 -57.14 -37.61 72.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.634 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -67.79 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.52 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -52.67 -18.22 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.32 -59.86 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.613 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -88.81 19.22 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.726 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 1.5 mmt -84.09 177.04 3.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.726 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.2 Cg_endo -75.04 -162.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 201' ' ' VAL . 1.0 OUTLIER -108.92 -47.48 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.728 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -131.88 98.23 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.536 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -155.73 154.25 31.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 108.273 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.9 p -102.87 110.93 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -90.95 152.84 21.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 197' ' ' VAL . 15.4 tp -141.53 98.62 3.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.88 133.32 35.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.615 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 6.2 mm -121.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.492 HG21 ' CG2' ' A' ' 110' ' ' ILE . 3.1 p -104.19 158.65 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 146' ' ' LEU . 0.3 OUTLIER -89.55 176.7 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 mm-40 -137.08 -111.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' A' ' 140' ' ' GLU . 13.0 t80 -25.25 -62.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.583 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -29.26 144.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.489 ' HA ' ' CD ' ' A' ' 150' ' ' PRO . 7.2 pt20 -179.57 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.456 ' N ' HD13 ' A' ' 145' ' ' LEU . . . -122.77 61.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.726 ' N ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 171.65 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.623 ' N ' HD11 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -83.01 128.25 34.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.505 ' N ' HD13 ' A' ' 146' ' ' LEU . 18.4 mt-10 -43.87 102.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.479 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.29 148.17 22.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.489 ' CD ' ' HA ' ' A' ' 143' ' ' GLN . 18.5 Cg_endo -74.93 160.29 40.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 6.8 m-85 -115.04 14.16 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 151' ' ' PHE . 99.9 p 35.36 48.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 152' ' ' SER . 6.6 p -37.03 111.49 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.417 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.1 Cg_endo -75.01 133.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -46.02 -47.42 16.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.3 OUTLIER -48.05 -43.66 30.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.656 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 45.8 t90 -62.29 -46.41 88.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.639 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -56.63 -40.19 74.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.618 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.4 OUTLIER -77.78 -17.36 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.748 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.84 -38.02 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.748 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.13 -58.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.702 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.74 6.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.671 ' H ' ' C ' ' A' ' 161' ' ' VAL . 32.3 t -103.7 101.24 11.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 155.36 54.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.583 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 4.8 m-20 149.75 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.702 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.76 130.16 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.007 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.3 OUTLIER -86.46 92.7 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.612 ' CG2' ' HB3' ' A' ' 198' ' ' LEU . 51.0 t -79.21 135.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.554 ' CG2' HG13 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.95 134.34 50.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 127.28 28.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.673 ' O ' ' O ' ' A' ' 195' ' ' VAL . 11.9 p -164.09 -173.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.603 ' H ' ' CG2' ' A' ' 171' ' ' VAL . . . 111.9 -150.04 18.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.504 ' HA3' ' CE ' ' A' ' 7' ' ' LYS . . . -163.1 138.75 5.5 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 176' ' ' THR . 0.8 OUTLIER -97.65 162.78 13.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 46.56 24.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 176' ' ' THR . 14.5 t -104.35 74.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.544 ' HG ' ' N ' ' A' ' 190' ' ' ARG . 2.2 tm? -61.59 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.93 -42.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.447 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.0 t -90.59 108.57 19.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' A' ' 32' ' ' SER . . . -45.5 -54.22 7.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -46.2 -26.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 188' ' ' LEU . . . -58.99 -48.08 87.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.95 -20.31 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.803 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.75 53.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 146' ' ' LEU . . . -107.84 -40.24 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.74 1.24 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.583 ' CD2' ' HB3' ' A' ' 142' ' ' ASP . 1.1 mp -105.2 -16.54 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.514 ' CA ' ' HG ' ' A' ' 177' ' ' LEU . 13.5 pm0 36.36 31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.544 ' N ' ' HG ' ' A' ' 177' ' ' LEU . 0.3 OUTLIER 157.26 105.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 177' ' ' LEU . 2.5 ptt? -167.29 154.0 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 23.3 t0 -93.65 139.76 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 36.8 tt0 -125.21 118.3 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -102.03 123.19 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.673 ' O ' ' O ' ' A' ' 171' ' ' VAL . 0.7 OUTLIER -122.48 165.91 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.628 ' CD2' HD21 ' A' ' 158' ' ' LEU . 0.7 OUTLIER -148.54 144.21 27.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 12' ' ' TYR . 2.8 p -101.69 107.25 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -95.91 133.53 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -96.68 91.61 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -61.01 95.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.4 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 178' ' ' HIS . 0.0 OUTLIER -140.57 84.51 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.5 p -131.72 139.13 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -33.24 99.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.11 -30.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 12' ' ' TYR . 2.3 m-20 -69.03 -61.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' TRP . 1.3 tm? -45.28 -58.87 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' SER . 10.3 pt20 -57.83 -39.7 78.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 49.5 tt0 -69.76 -76.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.638 ' CE2' HG21 ' A' ' 171' ' ' VAL . 55.2 m-85 -43.82 -54.42 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.654 ' CZ2' HD12 ' A' ' 38' ' ' LEU . 6.6 t-105 -53.63 -50.99 64.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.4 t -53.25 -28.95 30.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 t -86.23 -44.05 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.053 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 133' ' ' SER . 2.2 mt -54.37 -33.6 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LEU . 51.1 t30 39.4 39.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 19' ' ' VAL . 10.6 p -47.5 155.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' A' ' 18' ' ' VAL . 10.8 m -31.63 144.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.99 4.18 56.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.774 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -44.94 159.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.825 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 12.2 mmt85 -81.18 116.98 21.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 102' ' ' ALA . 91.3 t -103.28 111.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HG ' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -84.24 152.71 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.554 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 2.1 t -139.16 89.79 12.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.04 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HG ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 41.73 27.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 104' ' ' TYR . 90.6 m -100.63 -15.99 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.61 -114.23 5.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 18.4 mttt -111.01 -94.55 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.496 ' HB3' ' CB ' ' A' ' 181' ' ' ALA . 17.4 m 74.71 167.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -36.11 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.86 -58.02 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.473 ' HG2' ' CG1' ' A' ' 45' ' ' VAL . 2.1 tmt? -53.47 -53.47 51.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 m -56.97 -29.27 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.426 ' CE3' HD11 ' A' ' 38' ' ' LEU . 10.2 t90 -73.67 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.654 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -66.5 -66.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -46.85 56.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.18 -17.3 16.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -96.04 -38.33 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.97 59.99 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -129.61 164.32 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 83.32 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG1' ' HG2' ' A' ' 35' ' ' MET . 97.7 t -72.38 117.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -145.91 144.09 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.718 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 174.37 -177.35 46.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -123.97 157.76 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.91 97.56 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.679 HD23 ' N ' ' A' ' 89' ' ' PHE . 1.5 mm? -69.43 75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -152.09 133.25 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -98.1 -53.45 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -34.99 78.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -70.31 -35.82 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -62.04 -51.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.48 -43.34 97.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -37.12 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.403 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 1.7 m-30 -64.15 -44.03 93.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.604 ' CZ ' HG22 ' A' ' 68' ' ' ILE . 7.0 m-30 -71.21 -28.72 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -37.54 47.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.98 -45.27 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 29.8 mtt85 -77.58 -33.35 53.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.92 38.69 48.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 2.1 mt-10 74.21 146.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.9 OUTLIER 162.54 -48.77 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.91 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 110.77 23.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.604 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 7.2 mm -106.6 123.16 61.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.525 ' CG2' ' OE1' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -124.47 151.0 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.8 m -107.49 101.43 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.534 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -89.56 85.42 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.62 -90.86 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.31 -13.89 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.2 m-85 -98.4 173.03 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.546 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.3 tttt -127.65 158.44 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.518 ' CG1' HG21 ' A' ' 69' ' ' THR . 0.1 OUTLIER -142.28 107.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.03 102.91 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -95.51 142.87 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.36 155.93 49.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.34 3.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.09 -55.19 0.77 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.473 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -110.84 161.59 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -104.04 52.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.483 HD12 ' C ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -104.65 122.69 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.718 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -111.33 105.61 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 3.7 t -71.28 137.83 48.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 139.83 -105.22 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -133.11 164.22 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.679 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.9 t80 -114.53 102.58 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.817 ' CZ ' ' CE1' ' A' ' 123' ' ' HIS . 0.2 OUTLIER 169.3 56.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -154.68 -45.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.675 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.01 176.9 7.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.518 ' N ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -111.48 86.8 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.612 ' HB2' ' CE ' ' A' ' 128' ' ' MET . . . -51.18 -21.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 93' ' ' THR . 5.7 ptm180 -81.2 -38.4 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.5 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 36.8 t0 -71.85 -36.48 70.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 1.7 pt -79.62 -53.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.575 ' HA3' ' HG3' ' A' ' 129' ' ' PRO . . . -54.62 -61.8 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.599 ' N ' ' HG3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 43.59 -90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.617 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.871 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 1.4 p -130.01 128.31 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.825 ' HB2' ' N ' ' A' ' 23' ' ' ARG . . . 153.8 -111.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.63 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -173.38 -171.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.794 ' CE1' ' CA ' ' A' ' 134' ' ' GLY . 8.1 p90 -167.33 144.59 4.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.644 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 74.9 t80 -100.01 114.99 28.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.426 ' HB3' HD12 ' A' ' 136' ' ' LEU . 6.4 t0 -101.56 134.45 44.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.465 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 ttm180 -101.31 172.01 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' A' ' 138' ' ' THR . . . -70.79 93.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.441 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -118.48 -37.31 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.553 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -66.08 -28.65 68.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -71.45 -11.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.438 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -94.29 -51.37 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.584 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -76.1 167.18 38.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.99 160.51 40.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -46.96 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.5 m-20 -39.12 -52.59 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.581 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 28.5 tpp -60.33 -43.27 96.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.581 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 14.0 mtt180 -56.25 -48.62 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 1.9 mt-10 -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -69.35 -22.08 63.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -79.59 -50.04 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 1.5 m -63.77 -38.39 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -69.31 -50.19 48.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.817 ' CE1' ' CZ ' ' A' ' 90' ' ' PHE . 36.4 t60 -58.26 -42.8 87.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.637 ' O ' ' HG2' ' A' ' 128' ' ' MET . 0.9 OUTLIER -59.47 -65.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -54.23 -20.39 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.456 ' N ' ' OE1' ' A' ' 125' ' ' GLU . . . -68.83 -56.68 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.569 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -84.01 13.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.887 ' SD ' ' CZ ' ' A' ' 200' ' ' ARG . 8.2 mmt -85.81 159.72 54.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.599 ' HG3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.02 -95.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.605 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -178.35 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.871 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -119.67 104.27 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.697 ' O ' ' CB ' ' A' ' 200' ' ' ARG . 1.2 m -173.15 129.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.558 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -83.89 107.39 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.794 ' CA ' ' CE1' ' A' ' 103' ' ' PHE . . . -86.26 134.69 12.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.59 ' CD1' ' CD1' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -130.21 98.52 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 1.6 tp -83.16 143.47 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.612 HG13 ' CE1' ' A' ' 104' ' ' TYR . 5.9 mm -131.89 92.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.506 ' HA ' ' CB ' ' A' ' 107' ' ' ALA . 6.7 p -97.84 -178.89 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.46 ' CB ' ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -146.05 165.09 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.6 OUTLIER -127.9 -79.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.539 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.4 OUTLIER -25.75 -66.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.546 ' HB3' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.41 142.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.8 OUTLIER 174.06 -32.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.62 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.44 52.41 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.62 ' HB3' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER 174.78 -29.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -88.27 115.82 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 146' ' ' LEU . 41.6 mm-40 -39.42 102.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.2 133.14 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 148' ' ' GLY . 18.2 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -83.63 18.17 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 153' ' ' VAL . 10.2 p 35.82 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.97 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 152' ' ' SER . 9.8 p -34.51 121.95 0.55 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.2 Cg_endo -74.95 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -40.31 -42.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 157' ' ' TRP . 9.0 t -52.67 -35.0 54.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.581 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 84.4 t90 -62.45 -58.73 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.9 mt -49.39 -40.21 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.564 ' O ' ' CB ' ' A' ' 163' ' ' SER . 53.0 t-80 -72.29 -23.14 61.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -81.93 -33.99 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.542 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.23 -72.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.618 ' O ' ' NE1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -38.46 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 10.9 t -53.86 88.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 162.9 105.34 0.19 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.653 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 10.1 t-20 96.23 -19.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.618 ' NE1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.32 130.99 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 107.974 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.0 mt-10 -92.0 91.79 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.684 ' CG2' ' CZ ' ' A' ' 196' ' ' TYR . 2.5 m -68.18 133.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -125.79 113.22 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 140.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.725 HG22 ' N ' ' A' ' 172' ' ' GLY . 0.3 OUTLIER -172.3 171.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.725 ' N ' HG22 ' A' ' 171' ' ' VAL . . . 114.18 -167.82 12.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -167.34 -173.28 35.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 0.6 OUTLIER -113.7 154.5 27.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 70.95 17.17 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 193' ' ' GLU . 2.4 t -116.86 74.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.582 ' CD1' ' H ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER -82.13 -35.73 28.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . 0.669 ' CD2' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -49.88 -46.06 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 178' ' ' HIS . 4.5 m -31.72 -56.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.452 ' N ' ' OE2' ' A' ' 193' ' ' GLU . 32.8 t -85.21 151.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.496 ' CB ' ' HB3' ' A' ' 32' ' ' SER . . . -85.03 -60.47 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 106' ' ' ARG . 0.6 OUTLIER -39.41 -36.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.689 ' HA2' HD22 ' A' ' 188' ' ' LEU . . . -58.1 -56.28 26.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.669 ' CD2' ' CD2' ' A' ' 178' ' ' HIS . 3.3 mt -57.75 -32.06 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.8 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -70.64 -31.11 67.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.519 ' CB ' HD11 ' A' ' 146' ' ' LEU . . . -87.02 -39.17 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 101.3 66.25 0.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.693 ' HB3' ' HG3' ' A' ' 191' ' ' MET . 3.7 mm? -92.24 -16.06 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 188' ' ' LEU . 6.0 pt-20 29.83 70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.582 ' H ' ' CD1' ' A' ' 177' ' ' LEU . 0.0 OUTLIER 70.71 99.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.693 ' HG3' ' HB3' ' A' ' 188' ' ' LEU . 4.1 mmt -147.95 155.49 41.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 t0 -48.88 114.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 176' ' ' THR . 1.0 OUTLIER -121.66 121.6 37.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.514 ' O ' HG22 ' A' ' 195' ' ' VAL . 27.7 m170 -93.1 150.44 20.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 171' ' ' VAL . 75.4 t -141.18 151.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.684 ' CZ ' ' CG2' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -146.32 125.2 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 171' ' ' VAL . 51.9 t -97.21 93.3 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 168' ' ' VAL . 0.2 OUTLIER -96.51 109.63 22.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.21 98.93 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.887 ' CZ ' ' SD ' ' A' ' 128' ' ' MET . 11.2 ttm180 -62.97 98.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.8 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -137.89 84.9 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.583 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.0 OUTLIER -131.64 78.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.583 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 32.05 97.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.95 -34.74 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.462 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -67.42 -51.61 49.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.583 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 1.7 tm? -49.99 -64.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.0 pt20 -57.57 -34.49 69.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.4 tt0 -68.81 -79.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CE2' HG21 ' A' ' 171' ' ' VAL . 48.6 m-85 -43.81 -54.6 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 4.1 t-105 -51.05 -55.33 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -45.83 -40.06 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -79.23 -49.66 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -39.25 -51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.0 t-20 67.31 39.55 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 19' ' ' VAL . 75.2 t -50.79 142.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.503 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.75 150.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.73 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 107.86 -6.22 35.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.73 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -36.67 155.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.762 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 21.1 mmt-85 -81.41 114.6 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.544 ' CG1' HD13 ' A' ' 38' ' ' LEU . 12.0 t -105.76 108.77 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.597 ' HG ' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -99.55 154.01 18.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.597 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 31.4 m -151.86 103.22 2.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.56 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.4 Cg_endo -74.97 128.09 11.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.709 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 35.58 35.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 23.2 t -127.12 33.08 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -32.4 -41.68 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' GLY . 3.3 tttp 41.38 -163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' MET . 0.3 OUTLIER -152.59 -44.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -73.18 -38.66 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.7 t70 -62.52 -58.35 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 m -67.62 -36.02 80.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -68.25 -48.38 65.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.544 HD13 ' CG1' ' A' ' 24' ' ' VAL . 8.2 mt -59.73 -63.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -43.73 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.96 -28.86 71.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 38' ' ' LEU . 2.1 tp60 -83.06 -30.0 28.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 102.4 71.3 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.429 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 13.0 m-85 -142.52 170.44 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.1 97.68 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 21.3 t -88.32 99.5 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 1.4 p -136.12 106.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -136.29 -177.48 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.656 ' CB ' ' CE2' ' A' ' 85' ' ' TRP . . . -135.39 156.73 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -120.61 130.78 54.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.648 HD23 ' CB ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -102.7 67.8 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.563 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 44.0 m -153.5 95.49 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -58.39 -59.23 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.53 -38.68 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.502 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -59.1 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.617 HG21 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -57.09 -34.35 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.563 ' N ' HG23 ' A' ' 55' ' ' VAL . 24.4 mt-10 -64.14 -45.79 86.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.419 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 2.8 m-30 -73.03 -37.47 66.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.617 ' CE2' HG21 ' A' ' 55' ' ' VAL . 6.1 m-30 -76.04 -29.35 58.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.73 -35.46 33.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.86 -41.69 61.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 16.2 mtt85 -82.53 -34.93 27.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.84 37.26 26.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.7 mt-10 73.52 150.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.1 mt-30 161.97 -48.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.75 112.49 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.492 ' CG2' ' HE2' ' A' ' 75' ' ' LYS . 37.9 mm -107.19 121.14 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.407 HG21 HG11 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -123.82 147.42 47.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -104.73 104.47 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -92.23 85.61 5.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.61 -91.29 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.74 -6.7 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 21.4 m-85 -104.03 173.35 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.549 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.6 tttt -128.24 160.17 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.562 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.8 m -142.87 109.2 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.699 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -107.68 101.02 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.83 143.89 29.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.07 155.26 43.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 4.72 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.41 -47.0 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.46 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -132.99 172.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.235 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.487 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -100.94 51.49 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.521 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -106.4 114.04 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.927 ' CZ2' ' HB3' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -101.26 102.31 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.414 ' SG ' HG11 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -70.54 140.01 51.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.644 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 137.27 -99.01 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -138.24 163.39 31.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 0.799 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.79 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 1.3 t80 -109.55 106.52 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER 178.0 45.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.453 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . 176.87 59.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.927 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -143.73 -32.04 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.563 ' C ' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER 65.29 74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.687 ' O ' ' HA3' ' A' ' 98' ' ' GLY . . . -55.96 -12.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 127' ' ' LEU . 16.1 ptt180 -79.84 -49.44 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.227 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 5.9 t0 -69.47 -51.13 38.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.651 ' CG2' ' CD2' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -71.65 -34.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.687 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -65.73 -76.31 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.787 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.02 -84.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.571 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.754 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 32.1 p -143.33 141.37 30.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.762 ' HB2' ' N ' ' A' ' 23' ' ' ARG . . . 148.12 -106.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.645 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -171.41 172.23 5.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.695 ' CE2' ' HA3' ' A' ' 134' ' ' GLY . 2.1 p90 -155.89 117.54 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 137' ' ' ILE . 3.7 t80 -91.18 144.28 25.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' OD1' ' CG ' ' A' ' 27' ' ' PRO . 3.0 m-20 -128.11 140.31 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -104.82 172.25 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' A' ' 139' ' ' LEU . . . -49.65 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.416 ' O ' HD11 ' A' ' 112' ' ' LEU . . . -130.84 -48.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.818 ' CB ' ' CZ ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -66.88 -22.17 65.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.583 ' CG2' HG21 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -72.36 -3.87 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -126.28 20.26 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.491 ' HB2' ' HE ' ' A' ' 117' ' ' ARG . 1.2 mp -129.45 148.55 69.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.621 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 154.81 42.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -41.19 -66.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 114' ' ' ALA . 15.1 t70 -39.32 -48.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.621 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 9.6 tpp -69.37 -33.97 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.818 ' CZ ' ' CB ' ' A' ' 109' ' ' MET . 2.4 mmp_? -57.61 -52.64 64.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 3.3 mt-10 -64.94 -48.86 72.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.66 -24.26 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 116' ' ' MET . 37.9 t80 -81.71 -60.27 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.527 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 1.5 m -56.43 -33.36 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 6.7 pt20 -74.9 -49.57 19.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.537 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 19.7 t60 -58.22 -34.76 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -69.36 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.596 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.2 OUTLIER -51.66 -20.49 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.655 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -82.01 1.72 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.761 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.0 mmt -64.49 178.85 0.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.787 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.01 -99.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 201' ' ' VAL . 2.8 mt-30 174.47 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.754 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -123.7 83.25 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 1.7 p -151.61 170.82 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.527 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -115.6 110.67 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.695 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -87.63 138.59 15.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.5 tp -128.12 100.17 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.578 ' CD2' ' SD ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -87.46 140.73 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 104' ' ' TYR . 3.0 mp -135.12 114.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.5 p -120.1 -174.34 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -134.58 -86.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -21.11 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.545 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.2 OUTLIER -29.54 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 12.6 pt20 167.85 -28.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.605 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.73 47.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.605 ' HB3' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER 176.03 -30.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.485 HD12 ' CB ' ' A' ' 186' ' ' ALA . 1.8 tp -89.02 120.53 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.7 101.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 95.67 122.46 3.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.07 125.26 9.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -85.59 30.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 151' ' ' PHE . 1.7 p 26.24 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.583 HG21 ' CG2' ' A' ' 110' ' ' ILE . 1.7 t -62.73 127.24 90.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.2 Cg_endo -74.97 111.99 3.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.646 ' HG2' ' CE1' ' A' ' 196' ' ' TYR . 1.3 mt-30 -39.64 -30.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -65.51 -37.57 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.607 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 9.7 t90 -63.66 -43.26 97.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 196' ' ' TYR . 2.3 mp -61.2 -57.36 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.7 t-80 -62.04 -17.16 56.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 161' ' ' VAL . 10.6 ttm180 -78.92 -60.47 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.632 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -96.16 -49.71 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.656 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -58.92 5.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.632 ' H ' ' C ' ' A' ' 161' ' ' VAL . 48.0 t -108.82 97.08 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 171.68 46.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.6 m120 149.88 -14.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.656 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.72 120.77 10.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.9 mt-10 -74.57 89.51 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.668 HG21 ' CE2' ' A' ' 196' ' ' TYR . 2.7 m -74.26 126.02 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.551 ' CG2' HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -120.74 145.37 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.625 ' HA ' ' CD1' ' A' ' 196' ' ' TYR . 10.2 pttt -69.43 141.59 54.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.581 ' O ' ' O ' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -170.69 167.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.563 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.03 -159.05 16.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.604 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 178.14 179.61 48.2 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 18.5 pt20 -109.52 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.13 10.84 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 176' ' ' THR . 10.2 t -116.56 74.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 190' ' ' ARG . 0.6 OUTLIER -70.2 -39.22 75.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . 0.428 ' N ' HD13 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -53.47 -19.61 3.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.6 p -57.56 -27.08 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.42 160.99 33.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -86.8 -29.64 22.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -20.3 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.51 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -61.39 -54.07 39.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.1 -15.98 48.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -38.09 70.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.485 ' CB ' HD12 ' A' ' 146' ' ' LEU . . . -106.52 -31.94 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.8 73.47 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 3.8 mm? -86.22 -51.11 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.401 0.707 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 15.5 mm-40 76.56 -3.37 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 159.05 102.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.438 ' CE ' HD22 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -145.61 155.23 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -81.01 128.75 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.604 ' O ' ' O ' ' A' ' 173' ' ' GLY . 1.0 OUTLIER -120.43 116.88 26.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 195' ' ' VAL . 41.4 m-70 -91.99 155.78 17.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.59 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.581 ' O ' ' O ' ' A' ' 171' ' ' VAL . 55.1 t -146.25 148.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.668 ' CE2' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -141.32 114.6 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.551 HG12 ' CG2' ' A' ' 169' ' ' THR . 6.0 p -88.3 98.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.565 ' HA ' ' O ' ' A' ' 167' ' ' GLU . 0.2 OUTLIER -100.24 126.12 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.1 tt0 -92.6 104.73 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -68.81 98.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.478 ' C ' ' O ' ' A' ' 130' ' ' GLN . 35.5 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -140.4 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.6 p -131.69 78.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.534 ' C ' ' O ' ' A' ' 5' ' ' VAL . 14.0 t30 28.9 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.71 -36.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' TYR . 1.3 m-20 -64.72 -53.4 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.537 HD23 ' CD1' ' A' ' 104' ' ' TYR . 3.2 tm? -50.63 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 14' ' ' SER . 15.6 pt20 -53.83 -34.39 59.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.3 tp60 -70.54 -76.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.576 ' CD1' HG23 ' A' ' 197' ' ' VAL . 25.7 m-85 -43.83 -52.39 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.656 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 3.7 t-105 -55.06 -50.95 67.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -51.46 -31.94 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -55.08 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.35 -42.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 45.67 32.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' VAL . 10.9 p -44.37 154.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -32.78 143.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.32 2.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 43' ' ' TYR . . . 103.76 0.98 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.8 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -41.13 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.757 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 5.2 mmt85 -81.94 113.39 19.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 102' ' ' ALA . 5.0 t -104.46 113.28 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.571 ' HG ' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -93.05 153.46 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG2' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -139.88 91.13 10.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.02 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.684 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 31.8 68.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.521 ' CB ' HG22 ' A' ' 26' ' ' VAL . 4.5 t -117.64 -33.74 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.86 -100.89 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.432 1.083 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HE3' ' CZ ' ' A' ' 58' ' ' TYR . 8.4 pttp -179.41 130.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.9 -153.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 1.1 mp0 -71.54 -20.63 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -65.48 -57.91 7.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -69.25 -35.6 76.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -67.91 -28.79 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 9.4 t90 -77.7 -42.33 34.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -56.75 -64.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -58.66 -51.91 67.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.89 -17.91 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -94.08 -37.46 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.75 60.38 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.482 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 20.8 m-85 -138.97 165.79 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.68 99.92 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.38 97.09 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 97' ' ' ILE . 2.3 p -132.47 117.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -153.93 -172.67 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.633 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -145.75 167.18 23.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -122.35 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.692 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 2.2 mm? -96.03 63.45 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.686 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 37.8 m -151.99 143.39 23.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HA ' HG12 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -98.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.06 -23.66 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -70.38 -46.56 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -61.25 -48.78 87.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 mt-10 -60.48 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -64.13 -26.33 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.554 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -73.2 -44.25 60.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.26 -32.13 71.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -39.08 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 57' ' ' ARG . 6.6 mm-40 -61.72 -45.96 91.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB3' ' HG2' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -84.37 -38.5 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.8 42.77 44.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 66' ' ' PRO . 3.2 pt-20 -147.13 62.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.3 pt20 -32.49 93.49 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.667 ' HG2' ' CD2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.0 -154.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.55 78.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.575 HD12 ' CE1' ' A' ' 59' ' ' PHE . 48.1 mm -92.18 117.44 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.485 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -126.71 143.18 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.379 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 24.9 t -99.73 117.23 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -106.74 85.54 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.78 -97.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t0 -113.31 27.85 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 88' ' ' ASP . 19.7 m-85 -140.62 172.76 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.9 tttp -129.31 161.06 31.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.602 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.3 m -142.09 106.33 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.818 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -102.23 101.55 11.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.72 156.6 40.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.05 -64.41 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.562 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -99.03 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.79 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.562 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -107.03 119.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.683 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -109.42 109.64 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 77' ' ' TYR . 1.6 t -75.09 141.85 43.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.47 -94.22 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.657 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 3.9 t70 -135.39 161.83 34.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.7 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -137.52 128.76 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.7 ' HB3' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 168.57 -22.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.417 ' N ' ' CD1' ' A' ' 90' ' ' PHE . . . -109.24 59.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -146.09 -28.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.519 ' N ' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER 70.17 90.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . . . -58.7 -14.25 8.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.484 ' HG2' ' CG2' ' A' ' 93' ' ' THR . 19.1 ptt180 -83.07 -43.4 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.88 -45.9 91.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.527 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -78.71 -51.09 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -53.43 -72.8 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.696 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 8.0 t-80 55.53 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.664 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 30.2 p -143.98 132.1 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.8 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 149.32 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.656 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -166.94 -178.36 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.68 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.8 p90 -162.91 127.01 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.537 ' CD1' HD23 ' A' ' 9' ' ' LEU . 8.3 t80 -93.23 113.29 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 106' ' ' ARG . 49.0 t0 -99.16 134.16 42.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -96.12 172.15 8.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . . . -67.45 94.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.25 -38.36 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.571 ' HB2' ' NH2' ' A' ' 117' ' ' ARG . 7.7 mmt -63.73 -37.9 89.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 150' ' ' PRO . 9.8 pt -65.34 -12.02 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -88.93 7.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -140.42 166.78 20.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -74.97 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.64 -63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 38.3 t0 -39.67 -61.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.552 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 18.2 tpp -54.9 -39.84 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.694 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -55.52 -55.87 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.59 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 4.5 mt-10 -65.58 -23.35 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -69.59 -55.49 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.462 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 2.3 t80 -72.51 -34.53 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.694 ' HB ' ' O ' ' A' ' 117' ' ' ARG . 1.2 t -60.33 -58.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 12.2 pt20 -58.55 -49.47 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.445 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 3.5 m170 -55.08 -36.56 65.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -67.43 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.546 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 1.5 pp20? -51.27 -19.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.57 -52.24 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.6 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -84.5 -4.82 59.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.626 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 5.6 mmt -60.53 174.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.696 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.04 -165.11 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -101.3 -49.36 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.28 97.54 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 35.9 m -150.29 154.7 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 108.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.458 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -97.73 107.72 20.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.68 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.69 146.28 18.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.64 108.16 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.7 136.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.529 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 13.0 mm -118.79 93.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 194' ' ' HIS . 34.5 p -105.19 174.0 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.53 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -141.87 179.11 7.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' TYR . 5.7 mt-10 -136.3 -73.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.498 ' O ' ' C ' ' A' ' 142' ' ' ASP . 68.8 t80 -32.43 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.521 ' CB ' HD12 ' A' ' 146' ' ' LEU . 0.4 OUTLIER -31.98 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.502 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 7.8 pt20 164.87 -21.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -132.67 48.73 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.713 ' C ' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 178.21 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.28 166.07 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 110.26 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 110.288 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.63 142.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 119.72 5.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.489 ' HB3' ' CD1' ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.94 132.7 15.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.3 OUTLIER -78.81 13.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' PHE . 11.9 p 35.83 54.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.504 ' CG2' ' NE ' ' A' ' 117' ' ' ARG . 11.8 p -46.72 122.29 7.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.6 Cg_endo -74.95 129.08 12.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.623 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 20.5 tp60 -43.6 -39.55 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 157' ' ' TRP . 10.2 t -56.48 -31.67 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.664 ' CZ3' ' NH1' ' A' ' 117' ' ' ARG . 36.9 t90 -66.55 -55.78 13.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.64 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.5 mt -55.83 -28.08 54.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.688 ' O ' ' CB ' ' A' ' 163' ' ' SER . 27.7 t-80 -84.59 -21.06 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.595 ' CG ' HG13 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -84.21 -34.44 23.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.673 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.16 -63.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.7 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.23 6.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.688 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 41.7 t -99.01 95.31 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 154.09 51.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.097 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 3.5 m-20 155.09 -24.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.2 116.09 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 107.984 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.94 99.11 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.615 HG13 ' CD2' ' A' ' 198' ' ' LEU . 0.4 OUTLIER -87.6 131.74 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.526 ' CB ' HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -123.9 145.06 49.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -68.48 134.09 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.512 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -160.74 165.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 95.41 -143.72 16.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.19 -165.78 33.91 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.1 pp0? -110.6 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 0.6 OUTLIER 74.93 6.19 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 176' ' ' THR . 10.3 t -115.68 74.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.547 ' CD2' ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -83.43 -34.34 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -58.39 -42.35 86.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.642 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -65.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 191' ' ' MET . 26.1 t -72.96 121.18 19.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.08 91.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.4 ' NH2' ' NZ ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -46.4 -41.05 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.542 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -58.75 -62.78 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.87 -36.23 16.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . 0.4 ' NZ ' ' NH2' ' A' ' 182' ' ' ARG . 3.0 tttp -59.16 -53.76 54.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.633 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -68.48 -40.04 81.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.11 76.84 1.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.624 ' HG ' ' CD2' ' A' ' 145' ' ' LEU . 2.0 mp -111.53 -22.03 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' A' ' 190' ' ' ARG . 16.0 pt-20 37.21 30.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 189' ' ' GLU . 0.2 OUTLIER 159.7 96.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' A' ' 193' ' ' GLU . 0.2 OUTLIER -150.69 153.67 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.435 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 5.3 m-20 -83.97 122.12 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 173' ' ' GLY . 23.4 tt0 -114.43 114.3 25.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.455 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.2 OUTLIER -99.54 123.05 43.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.654 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.567 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 42.6 t -112.44 150.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.623 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 14.2 m-85 -143.02 117.64 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.576 HG23 ' CD1' ' A' ' 12' ' ' TYR . 2.3 p -84.83 100.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.615 ' CD2' HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -99.28 96.61 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 100.58 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.579 ' CD ' ' HB3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -66.51 105.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.47 84.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.5 p -131.1 78.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.517 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 7.2 t30 32.94 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.38 -35.0 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' TYR . 12.1 m-20 -65.89 -50.27 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 ' CB ' ' HB3' ' A' ' 6' ' ' ASN . 3.3 tm? -53.49 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 14' ' ' SER . 5.4 pt20 -56.33 -31.17 63.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 6.7 tp60 -73.26 -77.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 197' ' ' VAL . 27.3 m-85 -43.89 -47.03 8.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.695 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 4.4 t-105 -61.59 -49.11 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -51.14 -42.7 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . 3.2 m -79.13 -48.12 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -40.13 -42.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 61.92 57.47 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.475 HG13 ' HB1' ' A' ' 22' ' ' ALA . 90.9 t -70.6 139.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.549 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.1 p -42.69 145.42 0.86 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 45.63 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.52 33.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.795 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -90.88 157.88 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.732 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.6 mmt85 -90.82 127.34 36.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.531 ' CG1' HD13 ' A' ' 38' ' ' LEU . 11.4 t -107.21 105.65 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.7 tm? -86.3 134.03 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.673 HG21 ' O ' ' A' ' 26' ' ' VAL . 11.1 m -136.08 106.04 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 134.08 17.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 33.95 36.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 1.9 t -90.37 -35.01 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 84' ' ' ILE . . . 64.2 -102.04 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -133.72 155.07 50.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.64 171.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -55.1 -32.55 62.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.48 -57.33 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -51.65 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -58.6 -36.51 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.432 ' CD1' HG11 ' A' ' 5' ' ' VAL . 73.4 t90 -61.16 -48.18 82.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.531 HD13 ' CG1' ' A' ' 24' ' ' VAL . 6.6 mt -60.77 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 -34.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.47 -38.26 58.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' LEU . 21.2 mm-40 -74.57 -27.77 60.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.88 68.38 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -131.79 172.93 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.32 86.57 5.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.6 t -78.14 114.08 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.8 p -141.95 119.94 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.698 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -156.66 -172.45 23.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -133.45 164.04 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -123.2 131.79 53.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 89' ' ' PHE . 1.5 mm? -99.54 73.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.58 135.79 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -98.36 -46.85 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.17 87.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -64.98 -33.94 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -64.8 -51.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.97 -42.6 98.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -62.08 -38.14 87.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -65.38 -41.72 93.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 3.8 m-30 -72.58 -26.68 61.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.15 -37.55 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -82.45 -34.83 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.55 36.85 28.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.4 mt-10 76.24 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 165.67 -51.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.07 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.02 106.83 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 59' ' ' PHE . 14.1 mm -100.79 128.47 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.511 ' CB ' HG12 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.15 153.71 46.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.8 p -112.78 99.13 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.5 mm-40 -89.62 85.34 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.41 -91.66 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.09 -8.66 12.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 40.2 m-85 -102.8 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.569 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 7.9 tttt -128.73 161.83 28.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.511 HG12 ' CB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -142.7 110.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -110.62 102.31 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -103.09 139.36 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -109.78 165.21 13.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.15 21.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' O ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -117.32 162.03 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -103.02 57.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -112.23 124.47 68.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.698 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -105.85 100.21 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 5.0 t -70.11 140.16 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 134.35 -100.07 0.36 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 11.5 t70 -128.42 164.25 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.663 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 1.7 t80 -122.65 99.71 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.751 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 174.61 68.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.06 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.741 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.99 167.82 20.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.533 ' N ' HD21 ' A' ' 92' ' ' LEU . 2.4 m -113.98 86.76 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -50.32 -14.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 40.1 ttt180 -83.11 -43.18 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -74.46 -23.01 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.536 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -92.8 -36.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.733 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -76.64 -68.02 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.71 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 6.3 p80 53.06 -72.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.733 ' N ' ' O ' ' A' ' 98' ' ' GLY . 14.6 p -141.14 137.24 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.795 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 144.53 -111.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.695 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -164.68 -175.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.534 ' CD1' ' CA ' ' A' ' 134' ' ' GLY . 0.1 OUTLIER -159.53 125.15 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 137' ' ' ILE . 46.0 t80 -103.85 126.86 51.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.527 ' HB3' ' CD1' ' A' ' 136' ' ' LEU . 29.0 t0 -113.55 145.81 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 171.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.505 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -53.04 100.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.419 ' HB1' ' NH2' ' A' ' 117' ' ' ARG . . . -130.28 -49.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.747 ' HB3' ' NE ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -59.82 -34.99 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.505 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -62.58 -14.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.12 -40.46 10.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.495 ' CD2' ' HG2' ' A' ' 116' ' ' MET . 5.9 mp -88.65 162.07 40.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.612 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -74.98 -153.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -85.24 -68.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 0.9 OUTLIER -40.32 -55.17 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.612 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 1.3 tpt -51.34 -58.97 4.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.747 ' NE ' ' HB3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -53.48 -32.88 52.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -61.42 -53.56 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -68.97 -20.88 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.424 ' OH ' HD22 ' A' ' 28' ' ' LEU . 6.3 t80 -76.94 -48.43 18.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.57 ' CG1' ' HD2' ' A' ' 117' ' ' ARG . 2.6 m -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 2.4 pt20 -61.84 -50.34 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.546 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 1.8 m-70 -59.89 -36.35 76.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.55 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.33 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -50.33 -24.72 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.64 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -81.47 7.2 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.695 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.2 mmt -76.1 176.62 3.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.71 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -102.42 -45.17 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.51 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.72 97.57 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -149.87 152.01 34.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.498 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -97.11 108.62 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.534 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -86.76 151.5 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.572 ' CD1' HG21 ' A' ' 197' ' ' VAL . 54.1 tp -158.2 110.87 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.783 ' HB3' ' CE2' ' A' ' 196' ' ' TYR . 0.8 OUTLIER -100.75 147.23 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.576 HD13 ' CE2' ' A' ' 104' ' ' TYR . 2.5 mp -123.73 106.07 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.601 ' CG2' HD23 ' A' ' 136' ' ' LEU . 32.2 p -110.08 172.62 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.502 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -140.13 172.89 12.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 4.9 tt0 -126.35 -76.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.4 OUTLIER -23.13 -77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -28.27 146.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.497 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 2.4 pp0? 160.74 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.2 45.28 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.682 ' CD2' ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 175.86 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.241 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.546 HD12 ' CB ' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.92 153.45 21.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 147' ' ' GLU . 10.4 pt-20 -57.16 110.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 68.29 148.11 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 109.8 2.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -75.01 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.559 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.4 t80 -92.39 81.78 4.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.0 OUTLIER -25.6 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 153' ' ' VAL . 9.3 p -70.86 125.96 92.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.0 Cg_endo -75.03 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -40.57 -32.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 t -56.09 -34.93 66.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.669 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 58.8 t90 -64.54 -58.83 5.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.63 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.4 mt -52.35 -28.03 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.713 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.9 t-80 -83.99 -22.25 31.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.6 OUTLIER -83.72 -33.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.678 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.31 -62.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.736 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.62 5.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.713 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 33.1 t -97.71 91.56 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 159.27 54.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 7.1 m-20 152.31 -21.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 130.01 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 108.011 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.5 mt-10 -82.27 90.1 6.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 197' ' ' VAL . 1.7 m -69.95 157.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.42 139.05 13.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.457 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 0.8 OUTLIER -71.63 149.87 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.613 HG13 ' HA ' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -171.19 169.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 86.21 -151.95 25.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 166.21 -174.05 41.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 1.9 pt20 -101.86 163.51 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 9.2 t0 84.21 -9.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 176' ' ' THR . 9.0 t -107.24 74.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.591 ' CD2' ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -90.95 -19.52 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -77.47 14.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 177' ' ' LEU . 11.0 t -99.98 -19.87 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' SER . . . . . 0.432 ' HB2' ' OE1' ' A' ' 193' ' ' GLU . 43.7 t -118.7 160.58 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -92.74 -32.38 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -46.37 -24.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -71.93 -49.8 21.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.24 -15.67 61.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -57.79 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . 0.642 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -74.72 -40.55 61.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 101.41 68.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.682 ' HG ' ' CD2' ' A' ' 145' ' ' LEU . 3.8 mp -110.22 -41.67 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 4.8 pt-20 50.42 24.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 168.34 108.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 1.1 ptt? -172.17 144.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.424 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.3 m-20 -66.85 134.71 52.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 173' ' ' GLY . 2.1 tt0 -124.77 115.24 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.504 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.1 OUTLIER -103.09 122.62 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.537 ' O ' ' O ' ' A' ' 171' ' ' VAL . 57.8 t -114.38 149.9 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.834 ' CE1' HD23 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -147.87 118.2 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.572 HG21 ' CD1' ' A' ' 135' ' ' LEU . 1.4 t -82.54 167.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.834 HD23 ' CE1' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -163.13 110.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -76.25 100.35 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.6 101.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -140.68 84.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.5 p -131.74 143.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.545 ' HA ' ' CB ' ' A' ' 179' ' ' SER . 6.2 m-80 -33.84 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -42.81 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -41.63 97.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 1.6 tm? -56.29 -65.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 14' ' ' SER . 3.9 pp0? -57.82 -28.3 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.27 -80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.434 ' OH ' ' HB ' ' A' ' 171' ' ' VAL . 40.2 m-85 -44.16 -47.12 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.727 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 1.9 t-105 -58.28 -55.39 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.0 t -46.7 -34.81 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -85.05 -49.46 8.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.13 -52.64 5.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.39 37.96 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' VAL . 1.1 p -51.94 150.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.539 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 7.8 p -34.83 142.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -2.95 18.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.768 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -43.63 156.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.739 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 4.2 mmt85 -80.89 119.15 23.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' CZ2' ' A' ' 13' ' ' TRP . 41.5 t -102.03 94.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.646 ' CD2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 tm? -79.35 139.62 37.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.594 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 33.7 m -148.14 101.76 3.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 137.92 22.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 24.34 54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -80.4 -35.29 35.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 69.39 57.97 6.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 35.21 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 m -118.32 169.06 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 179' ' ' SER . 0.0 OUTLIER -55.59 -30.2 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -56.36 -55.7 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.479 ' CG ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -62.27 -48.73 78.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.7 m -54.12 -38.58 65.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 78.9 t90 -66.98 -43.51 82.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.7 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -57.69 -45.8 85.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -61.98 -39.27 91.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.09 74.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 18.8 mm-40 -81.02 -37.8 28.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.86 66.21 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -132.26 170.97 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -83.63 78.52 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 38' ' ' LEU . 85.0 t -67.98 113.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.588 ' CG1' HD13 ' A' ' 97' ' ' ILE . 1.3 p -137.47 133.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.724 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -173.32 -172.75 39.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.643 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -143.68 167.26 22.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -126.13 125.82 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.657 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -88.41 66.12 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.632 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 11.0 m -152.02 134.4 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.08 -62.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.95 -27.24 12.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 51' ' ' SER . . . -65.91 -48.67 70.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.663 HG21 ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -60.17 -40.9 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' HG23 ' A' ' 55' ' ' VAL . 7.0 mt-10 -63.64 -43.97 95.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -61.09 -35.86 78.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 110.342 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.565 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.1 -39.82 75.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.663 ' CE2' HG21 ' A' ' 55' ' ' VAL . 3.1 m-30 -71.38 -26.44 62.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -36.13 24.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.12 -42.17 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -84.33 -35.85 22.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.0 38.62 18.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 18.1 mt-10 74.7 153.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 161.79 -49.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.616 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.02 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.22 110.0 22.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.603 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.57 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 34.0 mm -93.91 132.39 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.473 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -131.67 156.5 45.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.9 p -103.84 138.06 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -147.01 87.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.32 -118.22 11.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -95.54 23.15 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.684 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 95.9 m-85 -139.82 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.692 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -124.86 175.88 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 69' ' ' THR . 70.1 t -142.81 97.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.703 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -105.26 101.1 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -104.18 141.46 36.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -109.38 162.05 21.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -38.46 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.42 -54.37 32.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -118.46 158.39 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.58 48.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -104.22 121.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.73 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -109.54 107.99 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.92 144.13 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 127.3 -99.98 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.684 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 7.3 p-10 -125.37 163.39 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.73 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -121.71 176.63 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER 79.6 54.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.68 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.567 ' HG ' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -139.76 16.52 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.45 ' O ' HG21 ' A' ' 97' ' ' ILE . 0.2 OUTLIER 35.74 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.646 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -61.38 -11.16 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.635 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -81.59 -41.15 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -76.55 -40.15 50.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.641 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -79.03 -37.13 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.499 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -72.77 -67.98 1.7 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.608 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 7.2 t-160 67.13 -69.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.75 . . . . 0.0 109.604 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.678 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 29.7 p -154.98 148.64 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.768 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 146.8 -106.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.727 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -163.99 163.99 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.603 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -143.82 116.23 8.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.617 ' CE2' HD13 ' A' ' 137' ' ' ILE . 22.0 t80 -94.25 131.61 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.603 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 37.5 t0 -120.41 128.47 53.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -101.64 170.14 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.498 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -41.29 101.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -146.63 -51.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.623 ' SD ' ' CD1' ' A' ' 120' ' ' TYR . 2.0 mmt -64.56 -35.39 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 138' ' ' THR . 0.1 OUTLIER -64.23 -12.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 108' ' ' ALA . . . -77.38 -52.92 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -78.45 166.7 41.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.0 -66.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -39.99 -63.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 1.1 tpt -51.6 -46.55 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.678 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -52.68 -45.42 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 4.7 mt-10 -62.09 -56.3 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.68 -23.05 26.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.623 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 1.3 t80 -80.39 -53.37 6.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 117' ' ' ARG . 1.5 m -59.58 -38.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -69.21 -52.07 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.568 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 8.6 m170 -54.45 -42.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -59.91 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.771 ' OE2' ' CG ' ' A' ' 166' ' ' TRP . 3.9 mt-10 -54.02 -19.47 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.08 -51.37 18.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.635 ' O ' ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -90.85 5.0 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.624 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 7.3 mmt -71.62 173.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -45.91 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.654 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.8 103.0 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.61 ' HB2' ' C ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -154.04 168.9 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.553 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -113.7 110.3 19.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -83.65 153.09 29.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 195' ' ' VAL . 0.3 OUTLIER -145.78 99.05 3.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.484 ' CD2' ' CG ' ' A' ' 105' ' ' ASP . 0.2 OUTLIER -87.36 147.5 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.617 HD13 ' CE2' ' A' ' 104' ' ' TYR . 3.4 mp -132.64 109.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.587 ' OG1' ' CE2' ' A' ' 196' ' ' TYR . 24.4 p -115.67 178.32 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.539 ' CD1' ' CD2' ' A' ' 146' ' ' LEU . 0.1 OUTLIER -150.63 173.72 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -135.01 -80.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.557 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -22.95 -69.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.539 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -32.93 147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 176.51 -33.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . 0.458 ' N ' HD13 ' A' ' 145' ' ' LEU . . . -129.04 60.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 170.47 -21.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.631 ' N ' HD11 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -99.61 126.01 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.475 ' N ' HD13 ' A' ' 146' ' ' LEU . 25.7 mt-10 -45.39 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 88.26 140.66 7.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.44 3.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.515 ' CG ' ' OD2' ' A' ' 142' ' ' ASP . 18.1 Cg_endo -75.01 135.94 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.413 1.744 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.509 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.8 t80 -105.61 88.33 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.9 OUTLIER -30.2 117.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.466 HG13 ' NE ' ' A' ' 117' ' ' ARG . 1.7 t -104.12 117.87 58.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.1 Cg_endo -75.08 122.4 7.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 3.0 mp0 -40.85 -26.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -62.19 -45.13 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.713 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 33.4 t90 -63.82 -51.94 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.695 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -54.94 -31.67 60.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.61 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.2 t60 -85.13 -17.89 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -82.58 -37.34 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.713 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -113.98 -59.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.695 ' CB ' ' O ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -56.9 6.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.665 ' H ' ' C ' ' A' ' 161' ' ' VAL . 24.6 t -104.97 100.47 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.645 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 163.28 54.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 27.4 m-20 143.91 -18.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CG ' ' OE2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -145.72 127.4 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . 0.736 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.8 mt-10 -89.56 97.99 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.835 ' CG2' ' HB3' ' A' ' 198' ' ' LEU . 47.5 t -76.2 139.01 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -125.4 142.63 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.422 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -65.7 141.71 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.592 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -171.41 169.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.592 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.34 -162.05 16.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -172.27 -166.27 30.63 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.4 pt20 -118.29 148.56 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . 0.461 ' HA ' ' N ' ' A' ' 191' ' ' MET . 3.6 m-20 70.28 7.73 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.623 ' O ' ' CG2' ' A' ' 176' ' ' THR . 5.5 t -117.08 74.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.59 ' CD2' ' HG3' ' A' ' 191' ' ' MET . 3.9 pp -91.2 -22.88 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . 0.547 ' N ' HD13 ' A' ' 177' ' ' LEU . 11.0 p-80 -41.47 -26.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.547 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.545 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 17.3 m -59.28 -55.43 34.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 96.0 p -86.61 159.55 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -85.72 -50.08 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -37.89 -31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 181' ' ' ALA . . . -60.39 -55.46 29.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.53 -18.45 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.97 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -96.71 -40.0 9.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 86.08 76.5 1.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.565 ' CG ' HD21 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -111.69 1.91 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 189' ' ' GLU . 0.7 OUTLIER 33.3 66.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.567 ' H ' ' CD2' ' A' ' 177' ' ' LEU . 40.8 mtt180 80.75 123.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.59 ' HG3' ' CD2' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -160.61 155.17 23.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -50.75 104.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.64 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.4 OUTLIER -122.78 109.63 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 138' ' ' THR . 1.6 m80 -92.05 157.97 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.61 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 20.1 t -147.72 155.07 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.614 ' HA ' ' O ' ' A' ' 169' ' ' THR . 5.5 m-85 -147.17 116.2 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 169' ' ' THR . 7.7 p -94.3 107.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.835 ' HB3' ' CG2' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -99.86 152.69 19.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.2 mt-10 -112.56 100.41 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.231 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.596 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -66.1 93.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.42 84.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.7 p -131.73 78.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.541 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 33.05 95.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -39.38 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.417 ' OD1' HD11 ' A' ' 137' ' ' ILE . 3.1 p30 -65.07 -34.22 77.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.509 ' CB ' ' HB2' ' A' ' 6' ' ' ASN . 2.4 tm? -67.5 -65.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -55.95 -28.08 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 18.5 tp60 -65.17 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' LEU . 21.7 m-85 -46.13 -54.77 8.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.633 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 1.4 t-105 -47.79 -50.56 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 30.3 t -61.23 -30.84 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -96.9 11.09 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 12' ' ' TYR . 6.2 mt -106.87 -58.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.88 36.15 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.511 HG11 ' CB ' ' A' ' 22' ' ' ALA . 57.4 t -46.79 148.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.545 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.0 p -36.41 145.51 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.545 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.6 -1.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.77 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -44.16 155.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.793 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 4.7 mmt85 -79.82 114.85 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.554 HG11 ' CH2' ' A' ' 13' ' ' TRP . 32.5 t -107.85 114.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.528 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 6.9 tp -86.35 152.99 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 30' ' ' GLY . 41.2 t -137.69 83.95 23.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.667 ' CD ' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.02 115.28 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB3' ' CB ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 37.36 29.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 106' ' ' ARG . 62.0 m -104.3 -25.71 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -24.42 90.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 29' ' ' CYS . 5.5 ttmt -108.32 -96.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' SER . 26.0 p -173.24 -55.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 12.0 mm-40 -72.45 -35.19 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.4 -58.01 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.474 ' CG ' ' N ' ' A' ' 36' ' ' SER . 11.5 ptm -69.93 -49.78 48.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' SER . 58.0 m -50.14 -31.49 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.487 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 9.2 t90 -76.94 -52.51 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.049 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 HD23 ' CG1' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.4 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -57.65 -45.77 85.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.951 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.11 -23.43 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -92.82 -21.92 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 107.19 50.64 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -118.53 164.32 15.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -91.32 84.58 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.4 t -74.7 109.52 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.614 ' CG2' ' HB3' ' A' ' 83' ' ' GLU . 6.5 p -138.51 98.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.705 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -146.25 -172.61 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.805 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -133.66 168.64 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.644 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -124.88 91.45 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -61.31 65.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.3 m -151.93 133.39 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 4.2 mp0 -98.37 -43.08 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.55 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.657 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.1 t -59.61 -55.2 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 55' ' ' VAL . 59.4 mm-40 -62.97 -44.78 95.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 5.7 tpt180 -59.75 -30.46 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.4 m-30 -71.87 -49.74 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 2.0 m-30 -62.14 -30.6 71.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.12 -26.56 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.5 mm-40 -77.73 -33.76 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -96.81 -31.83 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.09 47.26 67.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -122.49 -42.57 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.1 76.25 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.741 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.1 Cg_endo -75.01 -154.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.75 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.641 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 66' ' ' PRO . 23.9 mm -87.54 133.21 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.521 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -135.08 170.5 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 69' ' ' THR . 90.2 p -121.57 120.17 34.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 1.4 mm-40 -120.95 104.99 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' ASP . . . 42.06 58.33 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 12.1 t0 88.84 -47.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.61 174.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.551 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -118.45 172.48 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.521 ' HB ' ' CG2' ' A' ' 69' ' ' THR . 87.8 t -142.31 106.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.741 ' CE2' ' CG ' ' A' ' 66' ' ' PRO . 7.7 t80 -99.96 101.11 12.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -112.3 120.08 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.26 155.88 38.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.17 0.74 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -106.12 152.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.614 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.94 51.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.602 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -108.45 112.15 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TRP . . . . . 0.805 ' CD2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.01 98.4 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -72.27 119.68 16.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.365 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 74' ' ' PHE . . . 150.09 -101.55 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.634 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -103.59 163.63 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.674 ' HB2' ' HB2' ' A' ' 48' ' ' ALA . 1.4 t80 -144.01 88.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 164.46 41.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.55 -33.51 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.698 ' HG ' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -92.51 -161.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 95' ' ' ARG . 1.6 m -130.23 94.24 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 127' ' ' LEU . . . -55.94 -12.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -78.92 -43.71 24.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -75.0 -44.18 49.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.607 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -74.56 -30.06 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -77.33 -74.51 0.98 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.749 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 62.91 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.67 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 9.0 t -152.14 142.85 22.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.793 ' HB2' ' N ' ' A' ' 23' ' ' ARG . . . 149.38 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.633 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -162.1 166.56 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.691 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -150.94 118.91 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . 0.667 ' O ' ' CD ' ' A' ' 27' ' ' PRO . 6.1 t80 -84.87 169.19 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB3' HD23 ' A' ' 136' ' ' LEU . 9.8 t0 -161.43 137.68 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -108.77 170.59 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.452 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -59.78 95.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.524 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -129.67 -46.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.56 -22.28 66.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.492 ' CG2' HG21 ' A' ' 138' ' ' THR . 0.1 OUTLIER -71.64 -11.56 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.41 ' N ' HD11 ' A' ' 110' ' ' ILE . . . -90.92 -55.09 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.1 OUTLIER -66.44 166.6 16.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.02 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -63.07 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.9 t0 -39.29 -55.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 34.4 tpp -59.68 -44.39 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.609 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 44.2 mtp180 -54.01 -43.89 70.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 2.6 mt-10 -65.0 -43.25 93.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.563 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 3.0 mmt180 -67.21 -26.13 66.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -75.62 -59.76 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.556 ' HB ' ' HG2' ' A' ' 162' ' ' MET . 1.9 m -55.76 -45.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.6 pt20 -62.5 -47.13 85.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 5.8 m-70 -58.54 -38.09 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.546 HD13 ' CZ ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -68.21 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.524 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 2.1 pp20? -50.52 -22.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.19 -57.89 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.623 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -81.46 3.28 25.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.629 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.4 mmt -72.54 174.23 4.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' PRO . . . . . 0.749 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 201' ' ' VAL . 6.2 tt0 -106.09 -41.57 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.666 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -140.15 98.59 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' CYS . . . . . 0.581 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -151.51 157.58 42.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.462 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -100.92 107.84 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.691 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -85.99 157.04 30.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.538 HD12 ' CG1' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -150.05 104.04 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -101.49 135.9 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.528 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 3.3 mm -114.35 134.31 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' THR . . . . . 0.492 HG21 ' CG2' ' A' ' 110' ' ' ILE . 13.6 p -137.21 165.99 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.596 HD21 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -130.44 168.11 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 141' ' ' TYR . 15.3 tt0 -131.88 -91.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -25.45 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -30.63 145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 178.0 -31.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -117.97 52.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . 0.574 ' N ' HD11 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -87.47 126.46 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLU . . . . . 0.492 ' N ' HD13 ' A' ' 146' ' ' LEU . 13.0 mt-10 -43.95 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.408 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 84.04 126.65 1.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 148' ' ' GLY . 18.3 Cg_endo -75.01 151.94 40.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 151' ' ' PHE . 24.9 t80 -99.25 19.2 15.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 152' ' ' SER . 21.6 p 40.01 75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.41 ' CG1' HG22 ' A' ' 110' ' ' ILE . 11.1 p -63.44 117.47 34.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.71 8.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.77 -38.43 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 157' ' ' TRP . 11.6 t -53.66 -37.06 62.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TRP . . . . . 0.621 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 71.1 t90 -62.98 -59.88 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.0 OUTLIER -52.03 -25.98 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.718 ' O ' ' CB ' ' A' ' 163' ' ' SER . 8.3 t60 -84.23 -23.61 30.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 1.4 ptp180 -84.32 -32.86 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' VAL . . . . . 0.685 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.04 -64.59 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' MET . . . . . 0.735 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -55.84 6.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.718 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 40.3 t -99.81 100.14 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.68 53.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 0.9 OUTLIER 153.34 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' TRP . . . . . 0.735 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.88 125.69 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.3 100.71 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.896 ' HB ' ' CE1' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -72.11 145.26 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.47 ' CG2' ' CG1' ' A' ' 197' ' ' VAL . 0.4 OUTLIER -143.83 139.6 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -67.42 142.04 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' VAL . . . . . 0.622 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -169.47 171.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.36 -160.22 17.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -165.15 169.05 39.56 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pt20 -104.24 152.86 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 174' ' ' GLN . 0.5 OUTLIER 66.56 6.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 176' ' ' THR . 14.7 t -116.94 76.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' LEU . . . . . 0.636 ' CD2' ' HB2' ' A' ' 188' ' ' LEU . 0.2 OUTLIER -82.27 -10.2 59.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' HIS . . . . . 0.632 ' N ' HD13 ' A' ' 177' ' ' LEU . 1.4 m80 -58.35 -25.24 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.442 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.1 m -56.51 -19.34 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 3.6 m -132.31 162.04 32.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -81.79 -32.21 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 182' ' ' ARG . 4.2 ptp180 -48.19 -33.12 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -55.33 -48.67 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.08 -14.92 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.83 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -106.91 -40.06 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' GLY . . . . . 0.423 ' N ' HD11 ' A' ' 188' ' ' LEU . . . 90.11 70.5 1.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.636 ' HB2' ' CD2' ' A' ' 177' ' ' LEU . 0.1 OUTLIER -114.4 -33.2 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' GLU . . . . . 0.752 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 11.7 pt-20 44.68 62.43 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' ARG . . . . . 0.752 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 126.56 97.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' MET . . . . . 0.587 ' CE ' ' O ' ' A' ' 190' ' ' ARG . 15.1 mmt -151.79 155.24 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' ASP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.0 OUTLIER -76.21 106.64 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' GLU . . . . . 0.585 ' O ' ' O ' ' A' ' 173' ' ' GLY . 25.7 tt0 -107.85 107.25 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' HIS . . . . . 0.482 ' O ' ' OG1' ' A' ' 138' ' ' THR . 10.7 m-70 -97.76 121.96 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' VAL . . . . . 0.538 ' CG1' HD12 ' A' ' 135' ' ' LEU . 9.5 t -109.04 153.57 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' TYR . . . . . 0.906 ' CE1' ' HG ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -146.06 114.47 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' VAL . . . . . 0.47 ' CG1' ' CG2' ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.25 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' LEU . . . . . 0.906 ' HG ' ' CE1' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -119.44 100.28 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -75.84 98.18 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' ARG . . . . . 0.581 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.04 104.85 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 130' ' ' GLN . 31.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.8 m170 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.532 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 3.0 mp0 60.07 55.09 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -59.16 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.26 84.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.3 p -131.66 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' O ' ' A' ' 5' ' ' VAL . 3.9 m120 34.32 95.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -43.05 -40.79 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.412 ' O ' ' N ' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -63.26 -48.84 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD21 ' CD1' ' A' ' 13' ' ' TRP . 1.6 tm? -51.47 -64.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' SER . 4.4 pp0? -57.73 -26.59 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -73.3 -74.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.526 ' CD2' HG23 ' A' ' 197' ' ' VAL . 17.0 m-85 -43.86 -51.45 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.726 ' CH2' HD12 ' A' ' 38' ' ' LEU . 13.1 m95 -58.25 -55.82 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.6 t -43.04 -34.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -89.05 -55.93 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.7 OUTLIER -37.97 -63.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 51.9 t30 70.99 47.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 19' ' ' VAL . 69.8 t -48.3 167.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.613 ' CG1' ' CB ' ' A' ' 22' ' ' ALA . 10.9 p -58.98 143.41 83.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.565 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.07 96.68 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 0.46 13.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.747 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -52.37 156.92 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.746 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 13.1 mmt85 -80.74 114.0 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.527 ' CG1' ' HG ' ' A' ' 38' ' ' LEU . 39.4 t -104.2 112.89 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 1.3 tp -90.59 150.84 21.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.672 ' CG1' ' O ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -132.76 81.07 59.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.69 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.2 Cg_endo -74.97 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER 30.83 38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.578 ' SG ' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -115.64 -21.84 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -28.73 106.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -118.25 -79.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 164.53 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.99 -45.86 63.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' OD1' ' CG ' ' A' ' 104' ' ' TYR . 1.1 t70 -54.43 -58.64 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 36' ' ' SER . 2.4 ppp? -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 32' ' ' SER . 30.1 m -54.73 -28.15 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.532 ' CD1' ' HG2' ' A' ' 2' ' ' GLN . 49.6 t90 -75.72 -57.0 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.726 HD12 ' CH2' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -47.63 -54.21 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -57.61 -50.63 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.35 -21.79 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -91.47 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 65.03 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.581 ' CE2' ' HZ3' ' A' ' 13' ' ' TRP . 11.1 m-85 -133.93 163.57 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.92 85.25 6.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.426 ' CG1' HD12 ' A' ' 82' ' ' ILE . 88.4 t -80.97 103.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 ' HB ' ' CB ' ' A' ' 83' ' ' GLU . 1.2 p -134.87 112.6 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -155.62 -172.81 23.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.629 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -128.99 159.21 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -114.84 95.97 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.633 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.04 64.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.608 ' N ' ' O ' ' A' ' 49' ' ' GLU . 47.0 t -152.85 107.16 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.428 ' HA ' HG12 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -70.42 -59.67 2.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.93 -33.32 17.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -62.52 -58.35 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.648 HG21 ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -47.59 -42.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 55' ' ' VAL . 13.5 mt-10 -60.89 -44.01 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -60.96 -33.29 72.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 m-30 -75.19 -34.22 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.648 ' CE2' HG21 ' A' ' 55' ' ' VAL . 5.0 m-30 -75.7 -25.5 56.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -34.55 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.31 -39.93 59.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -90.5 -34.48 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.7 38.63 23.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.964 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.9 mt-10 75.64 151.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 161.89 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.96 -175.69 2.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.27 101.1 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.555 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 18.9 mm -95.37 126.0 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.495 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.31 150.13 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.5 p -106.72 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.54 85.32 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.38 -111.81 4.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.43 -7.59 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 5.5 m-85 -108.55 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.677 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 4.5 mttt -125.33 170.94 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.495 ' HB ' ' CG2' ' A' ' 69' ' ' THR . 91.4 t -143.47 96.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -105.75 100.97 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -100.08 150.46 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -117.01 159.48 40.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.05 12.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.7 -54.24 5.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -121.04 165.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.457 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -100.55 49.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -105.98 117.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.748 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -103.63 104.53 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -68.25 130.93 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.677 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 141.55 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.607 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -118.83 163.95 16.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.794 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -128.93 105.91 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.416 ' H ' ' HH2' ' A' ' 85' ' ' TRP . 0.5 OUTLIER 176.2 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . 179.16 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.71 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -137.36 -1.17 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.488 ' CG2' ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 44.62 82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.573 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . . . -57.46 -12.64 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.488 ' HG2' ' CG2' ' A' ' 93' ' ' THR . 20.7 ptt180 -80.02 -47.91 14.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 52.2 m-20 -63.82 -49.03 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.519 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 0.3 OUTLIER -71.77 -43.17 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -55.34 -77.24 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.708 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.53 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.763 . . . . 0.0 109.564 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.679 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 31.3 p -146.64 136.76 23.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.747 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.42 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.643 ' CB ' ' O ' ' A' ' 133' ' ' SER . . . -176.5 179.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.789 ' CE1' ' HA3' ' A' ' 134' ' ' GLY . 3.1 p90 -162.42 132.7 4.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.69 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 23.7 t80 -92.08 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.484 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t0 -101.26 129.23 47.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 107' ' ' ALA . 15.8 ttm180 -103.26 148.54 25.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.53 ' CB ' ' CD1' ' A' ' 139' ' ' LEU . . . -41.62 104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.515 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -130.68 -48.29 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.602 ' HE2' ' CE1' ' A' ' 120' ' ' TYR . 0.2 OUTLIER -65.51 -25.55 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.514 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -69.26 -18.12 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.19 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.486 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -108.35 174.31 2.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.0 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -71.95 -64.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 m-20 -39.55 -60.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.486 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 21.3 tpp -55.93 -37.93 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.722 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 5.1 mtp180 -59.33 -47.3 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.5 ' CG ' HG23 ' A' ' 161' ' ' VAL . 3.1 mt-10 -63.06 -39.96 96.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 1.8 mmt180 -70.47 -25.87 63.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.602 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 8.7 t80 -75.98 -56.34 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.485 ' HB ' ' CG ' ' A' ' 162' ' ' MET . 1.5 m -57.49 -44.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.531 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 9.0 pt20 -63.99 -45.77 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 0.9 OUTLIER -60.0 -37.67 80.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.18 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.554 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -51.68 -22.13 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.66 -51.18 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.628 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -86.54 -0.92 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.625 ' CE ' ' CD2' ' A' ' 25' ' ' LEU . 4.6 mmt -65.66 173.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.708 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.0 Cg_endo -75.05 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 201' ' ' VAL . 42.5 mm-40 -109.23 -39.12 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.654 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -144.38 91.7 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.531 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -148.53 154.8 40.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.643 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -99.47 109.94 22.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.789 ' HA3' ' CE1' ' A' ' 103' ' ' PHE . . . -98.17 141.94 15.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.521 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -129.51 113.98 15.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.47 HD12 ' CE ' ' A' ' 162' ' ' MET . 0.6 OUTLIER -91.61 139.82 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.488 ' CD1' ' ND2' ' A' ' 6' ' ' ASN . 45.4 mm -122.78 101.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 24.8 p -105.37 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.53 ' CD1' ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -146.7 169.06 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 tm-20 -127.64 -78.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.592 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 3.2 m-85 -27.92 -85.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.571 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -27.02 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.401 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 1.2 pp0? 174.56 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -124.99 47.91 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.565 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -179.89 -31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.494 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.5 OUTLIER -87.56 152.99 21.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.62 102.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.18 1.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 114.36 4.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 138.71 23.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.05 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.484 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -87.62 23.03 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.1 p 32.62 47.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 152' ' ' SER . 6.3 p -35.2 121.49 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.485 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.01 132.45 15.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.436 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 7.4 tm0? -50.06 -38.43 38.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -56.78 -44.23 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.722 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 27.5 t90 -63.32 -45.81 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.632 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -57.35 -41.16 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.3 t-80 -76.97 -17.32 58.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.753 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.82 -37.38 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.753 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.19 -58.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.65 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.65 6.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.647 ' H ' ' C ' ' A' ' 161' ' ' VAL . 30.1 t -104.34 103.47 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.44 55.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.558 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.1 m120 151.31 -21.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.65 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.71 133.62 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 107.968 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -81.1 93.96 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 197' ' ' VAL . 5.5 m -84.02 135.31 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.527 ' CG2' HG11 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -134.6 142.87 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 137.75 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.54 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -165.47 166.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.54 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 90.67 -160.46 27.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 168.9 -160.93 34.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 4.3 pt20 -111.92 -173.92 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 t70 71.09 11.64 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.482 ' OG1' ' CB ' ' A' ' 179' ' ' SER . 1.4 t -115.4 74.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 177' ' ' LEU . 1.4 tm? -86.82 -39.48 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -63.43 -44.22 95.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.482 ' CB ' ' OG1' ' A' ' 176' ' ' THR . 0.9 OUTLIER -54.42 -68.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.965 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 120.12 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 184' ' ' LEU . . . -69.37 -48.8 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -45.77 -26.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -68.21 -39.67 88.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.479 HD21 ' CD1' ' A' ' 177' ' ' LEU . 0.3 OUTLIER -85.89 -15.28 42.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -49.82 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.494 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -83.93 -38.32 21.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 100.52 67.24 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.565 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 2.4 mm? -89.3 -33.49 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.6 pt-20 51.07 20.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.6 OUTLIER 148.47 100.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.592 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 4.6 ptt? -152.19 150.19 29.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.452 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 16.4 t0 -81.96 123.01 28.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' A' ' 173' ' ' GLY . 42.6 tt0 -110.22 114.67 28.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -92.11 151.08 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.622 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 41.0 t -140.43 150.26 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 20.8 m-85 -145.04 119.24 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.545 ' CG1' ' O ' ' A' ' 197' ' ' VAL . 0.3 OUTLIER -83.78 111.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.587 ' CD2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -112.45 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -87.61 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.536 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -65.78 106.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.522 ' N ' HH11 ' A' ' 200' ' ' ARG . 30.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 4' ' ' GLU . 9.8 mp0 -48.89 -68.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m 64.61 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.44 84.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.5 p -131.67 78.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 5' ' ' VAL . 5.1 m120 34.07 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -44.81 -40.35 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -62.54 -45.48 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 2.9 tm? -56.67 -65.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.06 -23.56 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' SER . 13.6 tp60 -73.27 -81.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.423 ' HE2' ' CG2' ' A' ' 171' ' ' VAL . 45.1 m-85 -44.08 -37.53 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.563 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 2.0 t-105 -70.15 -41.67 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.3 m -57.38 -36.54 71.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -45.63 10.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mt -43.42 -51.24 6.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.468 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 49.4 t30 70.6 36.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 19' ' ' VAL . 56.1 t -41.92 130.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.504 HG23 ' N ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -34.87 144.46 0.21 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.504 ' N ' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 96.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.18 10.9 10.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.793 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -61.9 157.79 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.707 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 15.4 mmt85 -82.12 117.36 22.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.628 ' CG2' ' HA ' ' A' ' 45' ' ' VAL . 19.6 m -105.35 111.14 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.537 HD13 ' N ' ' A' ' 26' ' ' VAL . 1.5 tm? -97.14 138.28 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.57 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 30.8 m -137.41 105.45 8.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.605 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 143.42 29.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.608 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 22.48 52.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' PRO . 50.7 t -138.41 33.34 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . -65.06 112.15 4.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER 87.97 110.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.93 161.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -58.8 -41.66 87.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.581 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -52.51 -57.97 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.448 ' CG ' HG12 ' A' ' 45' ' ' VAL . 2.0 tmm? -53.15 -60.08 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -49.29 -33.45 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -72.84 -36.38 67.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.001 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 35' ' ' MET . 86.3 mt -67.12 -66.85 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -37.76 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -24.27 76.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -84.53 -38.72 19.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.12 64.15 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -136.22 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.562 ' O ' HG23 ' A' ' 24' ' ' VAL . 20.8 m-70 -93.76 80.13 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.628 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 81.2 t -70.62 110.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 83' ' ' GLU . 1.5 p -141.32 104.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.762 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -142.0 -172.55 13.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.616 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -131.71 164.08 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' GLY . 2.6 tm-20 -125.39 128.81 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.608 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -96.34 72.5 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 68.4 m -152.27 131.36 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -98.37 -44.46 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.27 90.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.76 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.683 HG11 ' CE2' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -64.22 -56.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' N ' HG13 ' A' ' 55' ' ' VAL . 7.2 mm-40 -60.19 -40.99 91.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -37.37 87.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -63.51 -46.15 87.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.683 ' CE2' HG11 ' A' ' 55' ' ' VAL . 4.1 m-30 -68.03 -31.17 70.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -36.78 59.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.64 -43.25 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -75.75 -35.38 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.66 38.26 17.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.1 mt-10 69.91 151.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 159.9 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 179.29 6.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.29 107.14 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.472 ' CG2' ' HD3' ' A' ' 75' ' ' LYS . 18.4 mm -97.67 128.12 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.444 ' CG2' HG12 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -130.38 158.28 40.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -123.21 109.2 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 1.2 pp0? -103.17 105.48 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.57 -106.14 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.6 33.01 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 19.7 m-85 -144.11 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.526 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -126.16 160.68 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG21 ' CB ' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.73 107.85 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.667 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -104.02 101.72 11.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.69 149.05 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -120.25 159.19 48.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.68 16.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.96 -52.22 5.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.446 ' O ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -124.91 168.23 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.493 ' O ' ' HA ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -103.94 53.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.488 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -109.37 118.42 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.762 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -102.91 100.21 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.408 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 3.9 t -70.52 142.38 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 134.0 -99.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.646 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 12.6 t70 -129.69 163.84 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 7.6 t80 -119.47 102.93 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 165.09 52.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.33 -41.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.774 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.27 178.13 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.47 ' C ' ' N ' ' A' ' 95' ' ' ARG . 51.8 m -122.64 85.51 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -51.96 -15.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.2 ttt85 -73.49 -48.53 32.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -46.23 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.524 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -63.91 -47.03 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -59.74 -72.42 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.691 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 57.9 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.568 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.693 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 96.6 m -139.99 136.43 33.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.793 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 146.58 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.575 ' N ' ' HB2' ' A' ' 132' ' ' CYS . . . -169.57 -176.67 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -162.3 128.43 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.624 ' CE1' HD11 ' A' ' 137' ' ' ILE . 7.1 t80 -95.69 121.17 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.72 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -101.64 139.3 37.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 3.1 ttm180 -108.8 158.68 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.513 ' N ' ' CG ' ' A' ' 106' ' ' ARG . . . -52.86 99.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.464 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -132.89 -52.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.501 ' CE ' HD13 ' A' ' 136' ' ' LEU . 14.6 ptp -63.79 -32.86 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.496 ' CG2' HG21 ' A' ' 138' ' ' THR . 0.1 OUTLIER -58.47 -15.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.14 -59.18 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.64 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.96 169.68 1.46 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.62 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.02 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -51.83 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' ALA . 8.1 t0 -38.59 -52.31 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.64 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 30.6 tpp -62.2 -41.37 98.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.586 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 47.0 mtm180 -56.67 -42.33 78.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 2.9 mt-10 -66.25 -45.14 81.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -67.49 -22.78 65.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -76.48 -50.27 14.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 122' ' ' GLN . 1.5 m -61.68 -46.04 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.498 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 2.5 pt20 -61.63 -48.91 78.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.494 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 11.5 m170 -57.21 -38.73 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.505 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.69 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.503 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.5 OUTLIER -52.05 -19.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.67 -59.21 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.624 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -85.17 9.51 14.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.67 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.1 mmt -75.69 175.44 4.17 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.691 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -74.97 -167.18 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -46.62 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.617 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.9 101.33 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.598 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -153.9 160.78 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.453 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.81 107.88 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -86.54 144.67 19.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.518 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -141.52 98.72 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.603 ' CD1' ' HB2' ' A' ' 105' ' ' ASP . 2.1 tp -84.81 140.0 31.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.624 HD11 ' CE1' ' A' ' 104' ' ' TYR . 3.9 mp -118.92 114.79 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.532 ' CG2' HD23 ' A' ' 136' ' ' LEU . 36.9 p -117.07 170.86 8.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.557 ' CB ' ' OD2' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -132.76 167.95 19.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.3 mt-10 -123.38 -94.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.593 ' O ' ' C ' ' A' ' 142' ' ' ASP . 0.4 OUTLIER -22.25 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.594 ' OD1' ' N ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -24.76 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 144' ' ' ALA . 1.6 pt20 178.35 -29.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.71 49.78 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.544 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.42 -30.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 147' ' ' GLU . 0.3 OUTLIER -93.03 126.81 38.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.494 ' N ' ' CD1' ' A' ' 146' ' ' LEU . 21.6 mt-10 -42.51 107.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.76 118.3 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.437 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -88.23 25.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.9 p 31.07 44.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.482 HG11 ' CG2' ' A' ' 110' ' ' ILE . 9.9 p -36.86 122.43 0.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 164.81 32.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.57 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 16.5 tm0? -77.89 -32.69 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.2 t -63.41 -38.6 91.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.608 ' O ' ' HG2' ' A' ' 160' ' ' ARG . 73.6 t90 -63.72 -52.96 58.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.661 ' O ' ' CB ' ' A' ' 162' ' ' MET . 2.4 mt -54.65 -35.43 63.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.657 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.5 t60 -78.09 -21.14 50.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -83.1 -34.32 26.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.67 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.55 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.771 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.7 6.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.67 ' H ' ' C ' ' A' ' 161' ' ' VAL . 22.9 t -104.0 100.75 10.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.591 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 165.96 45.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.591 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 3.1 m-20 149.17 -15.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 128.17 15.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.527 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 42.3 mm-40 -84.13 94.01 8.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.548 ' HA ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 m -70.92 130.86 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -120.96 149.38 42.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.442 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.622 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -165.0 171.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 110.63 -173.19 15.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.06 156.46 27.23 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -103.83 166.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.74 21.34 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 176' ' ' THR . 15.4 t -107.67 74.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 188' ' ' LEU . 2.5 tm? -65.5 -45.11 84.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 178' ' ' HIS . 2.6 p80 -76.91 61.92 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -161.08 -43.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 43.9 t -90.33 126.16 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -65.14 -45.97 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.414 ' HG2' ' NH2' ' A' ' 106' ' ' ARG . 5.1 mtp180 -53.33 -19.29 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.404 ' HA2' HD22 ' A' ' 188' ' ' LEU . . . -73.02 -42.03 45.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 177' ' ' LEU . 0.9 OUTLIER -86.01 -14.36 44.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -51.48 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 146' ' ' LEU . . . -84.28 -34.83 23.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.3 64.47 0.98 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.548 ' CD1' ' HB3' ' A' ' 142' ' ' ASP . 2.5 mm? -81.7 -37.46 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 54.17 15.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 1.7 mtt180 158.39 102.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.415 ' SD ' ' OD1' ' A' ' 142' ' ' ASP . 2.0 ptt? -163.34 155.02 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.447 ' OD2' ' CD ' ' A' ' 140' ' ' GLU . 12.1 t0 -85.88 129.49 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 173' ' ' GLY . 22.4 tt0 -113.01 114.63 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.473 ' CE1' ' OE2' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -96.67 155.19 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 24.3 t -147.49 158.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.638 ' CD2' ' CD1' ' A' ' 158' ' ' LEU . 23.5 m-85 -145.12 130.07 18.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.48 ' HB ' ' CG2' ' A' ' 169' ' ' THR . 55.9 t -99.37 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -100.58 106.53 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.9 tt0 -76.17 104.15 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.598 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -69.79 101.73 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 26.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 3' ' ' SER . 2.9 m170 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 4' ' ' GLU . 6.7 mt-30 66.22 -66.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 1' ' ' HIS . 34.6 t 64.95 -78.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 10.5 pt-20 -140.49 84.63 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 6' ' ' ASN . 2.7 p -131.7 133.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' VAL . 38.2 t30 -33.44 108.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -46.71 -33.48 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' TYR . 2.6 m-20 -67.72 -53.12 30.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 2.0 tm? -49.93 -63.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.06 -31.46 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 8.5 tt0 -75.29 -75.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ASP . 35.0 m-85 -43.44 -41.47 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.643 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 1.8 t-105 -70.29 -42.99 71.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.4 m -54.74 -30.1 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.82 -51.87 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.429 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.1 OUTLIER -38.48 -51.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.429 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.7 t-20 65.31 53.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' CB ' ' A' ' 22' ' ' ALA . 73.1 t -59.71 142.83 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' N ' HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -38.43 151.25 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 104.03 -3.5 44.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.779 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -37.64 154.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.694 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 5.7 mmt85 -82.45 120.46 25.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 102' ' ' ALA . 22.2 t -107.16 114.04 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.523 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 1.8 tm? -96.58 141.12 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 29' ' ' CYS . 5.8 t -136.37 100.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.581 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.06 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.691 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 23.98 90.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 29.1 t -141.08 -35.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.06 -100.04 2.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 145.86 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -169.93 -178.41 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -55.73 -23.76 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' O ' HD23 ' A' ' 38' ' ' LEU . 0.9 OUTLIER -60.07 -58.34 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.423 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 3.4 mtm -63.8 -45.02 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -26.13 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 37.8 t90 -75.98 -48.32 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.624 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 0.2 OUTLIER -52.11 -56.39 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.03 -47.0 86.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.74 -20.72 3.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -98.78 -23.93 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 101.32 59.17 0.8 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.437 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 12.5 m-85 -129.85 166.91 19.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.429 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -79.03 94.01 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -79.9 97.09 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' HA ' ' HB3' ' A' ' 83' ' ' GLU . 1.4 t -114.98 132.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -160.27 163.94 34.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.574 ' HB1' ' CE2' ' A' ' 85' ' ' TRP . . . -129.03 153.03 47.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -117.77 116.64 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.684 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -90.44 69.1 6.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.7 p -151.96 135.93 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -97.75 -46.55 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.95 97.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.17 -33.11 75.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.583 HG11 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -63.49 -53.21 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' N ' HG13 ' A' ' 55' ' ' VAL . 2.9 mm-40 -61.0 -42.19 97.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -64.62 -35.33 80.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -65.9 -45.02 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 5.0 m-30 -69.11 -31.68 70.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -37.96 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.08 -43.3 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -75.41 -37.13 60.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.12 29.82 30.04 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.3 mt-10 76.03 151.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.91 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.554 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.98 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 111.16 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.566 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 2.6 mm -106.1 133.71 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.53 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -130.65 153.54 48.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -108.41 99.36 8.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 2.3 mm-40 -88.54 85.19 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.51 -98.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.58 30.83 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.363 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 10.7 m-85 -145.36 173.14 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.529 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 9.2 tttt -131.09 158.23 40.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.53 ' CG1' HG21 ' A' ' 69' ' ' THR . 0.1 OUTLIER -142.15 110.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -111.06 101.75 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -102.19 146.81 27.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -115.99 155.82 47.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.51 21.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.58 -52.4 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.462 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -123.08 172.06 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' HB3' ' HA ' ' A' ' 46' ' ' VAL . 3.2 tt0 -104.6 51.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.525 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -109.42 128.47 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.624 ' CZ2' ' HB3' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -113.49 106.78 14.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.486 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 4.9 t -74.38 145.13 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.544 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 129.32 -98.19 0.43 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -131.46 163.52 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -117.57 91.1 3.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 179.48 56.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . 179.1 39.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.624 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -136.82 -30.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.536 ' N ' HD11 ' A' ' 92' ' ' LEU . 0.8 OUTLIER 71.59 78.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.495 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . . . -54.67 -18.06 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.94 -47.66 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 95' ' ' ARG . 12.7 t0 -60.3 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.53 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -68.61 -49.63 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -44.89 -74.02 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.764 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 26.1 t-80 52.28 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.682 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 71.2 m -138.49 135.47 35.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.779 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.12 -109.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.643 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -172.4 -172.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 2.5 p90 -166.11 143.35 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.562 ' CZ ' HG13 ' A' ' 137' ' ' ILE . 26.2 t80 -106.73 119.19 38.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' CB ' ' HG ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -105.97 140.33 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 182' ' ' ARG . 8.3 tmm_? -110.07 170.46 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.469 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -60.95 101.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.09 -48.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.505 ' O ' ' CG ' ' A' ' 117' ' ' ARG . 0.5 OUTLIER -66.39 -22.5 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.505 HG13 ' CD1' ' A' ' 139' ' ' LEU . 0.2 OUTLIER -70.78 -18.07 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.02 46.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.572 HD21 ' CG ' ' A' ' 116' ' ' MET . 4.1 mp -110.85 165.99 11.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.527 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 0.9 OUTLIER -39.93 -60.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.572 ' CG ' HD21 ' A' ' 112' ' ' LEU . 8.8 tpp -57.89 -44.57 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.711 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 8.9 mtp180 -52.29 -41.55 63.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 3.3 mt-10 -71.46 -37.05 71.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -69.79 -23.35 63.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 120' ' ' TYR . 6.0 t80 -81.04 -53.52 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.531 HG21 ' N ' ' A' ' 122' ' ' GLN . 7.9 m -62.27 -32.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.532 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.7 pt20 -76.04 -48.36 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 7.3 m-70 -58.25 -35.81 72.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.5 OUTLIER -69.76 -64.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.545 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.2 OUTLIER -49.85 -22.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.42 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.649 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -81.53 3.12 26.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.633 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.9 mmt -71.15 174.45 3.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.764 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.02 -156.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.3 OUTLIER -117.96 -36.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.65 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.32 86.81 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 129' ' ' PRO . 10.5 m -151.59 145.13 24.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -92.12 123.37 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.714 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -101.25 142.95 15.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.559 HD22 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -130.1 100.06 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.49 HD23 ' N ' ' A' ' 137' ' ' ILE . 0.6 OUTLIER -86.34 136.35 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.562 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 8.0 mm -123.9 110.19 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.452 HG21 ' CG2' ' A' ' 110' ' ' ILE . 11.8 p -110.52 178.47 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.539 ' CD2' ' CG ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -139.44 168.5 19.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -132.04 -85.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.507 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -28.89 -73.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.694 ' OD1' ' N ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -35.04 142.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER 164.25 -25.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -111.93 36.86 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.542 HD21 HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.56 -30.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 146' ' ' LEU . 0.1 OUTLIER -76.25 119.3 19.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.486 ' N ' HD13 ' A' ' 146' ' ' LEU . 20.4 mm-40 -39.63 107.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.511 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 89.03 128.49 3.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.528 ' CG ' HD23 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.99 149.95 37.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -101.9 23.0 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 151' ' ' PHE . 23.4 p 29.98 51.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 152' ' ' SER . 9.8 p -34.94 123.19 0.57 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -74.97 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.494 ' HG3' ' CD2' ' A' ' 196' ' ' TYR . 1.5 mp0 -36.69 -48.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.434 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -47.38 -42.08 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.711 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.5 t90 -59.76 -46.02 90.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.599 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -55.49 -45.0 77.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' A' ' 163' ' ' SER . 70.4 t60 -73.35 -17.32 61.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -81.98 -38.33 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.669 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.18 -56.85 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.741 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.9 6.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.666 ' H ' ' C ' ' A' ' 161' ' ' VAL . 9.1 t -108.13 100.02 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 165' ' ' ASN . . . 159.94 47.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.671 ' OD1' ' CD1' ' A' ' 166' ' ' TRP . 7.1 p30 154.75 -18.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.741 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.56 125.0 13.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.536 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.0 mt-10 -75.61 91.64 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.601 HG21 ' CZ ' ' A' ' 196' ' ' TYR . 4.1 m -71.46 128.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.576 ' C ' ' CD1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -121.34 120.98 36.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -57.11 143.83 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.548 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -174.58 166.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 96.18 -157.0 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 165.82 -133.09 2.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 21.5 pt20 -131.03 175.68 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 4.5 m-20 78.34 0.59 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.473 ' O ' ' CG2' ' A' ' 176' ' ' THR . 12.5 t -116.47 74.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.64 -38.54 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -57.55 -23.53 51.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -55.41 -61.4 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.2 p -76.02 149.6 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -85.84 -49.59 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 27.7 mmt-85 -39.8 -29.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.485 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -68.35 -63.91 3.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.01 -18.51 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -39.58 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.44 ' CB ' ' HA ' ' A' ' 146' ' ' LEU . . . -82.93 -39.75 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 102.83 58.58 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.542 HD11 HD21 ' A' ' 145' ' ' LEU . 2.7 mm? -84.93 -52.66 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.462 ' C ' ' HG2' ' A' ' 190' ' ' ARG . 13.3 mm-40 67.98 5.02 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HG2' ' C ' ' A' ' 189' ' ' GLU . 5.9 ptm180 162.46 115.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.461 ' SD ' ' CG ' ' A' ' 142' ' ' ASP . 0.3 OUTLIER -166.47 155.19 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.419 ' CG ' ' HB3' ' A' ' 174' ' ' GLN . 1.9 m-20 -74.61 123.61 25.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 173' ' ' GLY . 18.6 tt0 -118.62 122.19 41.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.408 ' O ' HG22 ' A' ' 195' ' ' VAL . 6.1 m80 -92.75 150.92 20.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.618 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.559 ' CG1' HD22 ' A' ' 135' ' ' LEU . 44.4 t -138.56 149.28 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.601 ' CZ ' HG21 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -149.2 114.58 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.47 HG22 ' CE1' ' A' ' 12' ' ' TYR . 61.8 t -87.53 97.23 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.599 HD13 ' CE3' ' A' ' 166' ' ' TRP . 0.2 OUTLIER -98.57 107.55 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.99 101.8 6.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.476 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -65.63 103.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 130' ' ' GLN . 34.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 69.7 m80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 3' ' ' SER . 37.6 mt-30 -116.88 -151.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 2' ' ' GLN . 56.3 m 69.35 -58.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 3.5 pt-20 -140.13 84.8 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.8 p -131.52 78.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER 35.81 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 2.2 pptp? -44.22 -38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.474 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 7.1 m-20 -65.78 -54.73 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 1.7 tm? -46.75 -65.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.4 pt20 -56.3 -35.03 67.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 23.6 tt0 -68.0 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.632 ' CE2' HG21 ' A' ' 171' ' ' VAL . 64.4 m-85 -43.7 -54.65 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.692 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 6.3 t-105 -49.84 -59.03 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.033 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 10.8 t -43.99 -37.84 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.69 -47.31 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -41.43 -49.53 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 t30 55.35 60.51 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.0 p -79.95 153.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.496 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 3.3 p -33.54 142.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.496 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 109.36 -5.52 31.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.795 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.58 156.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.747 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 13.6 mmt85 -83.54 121.11 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 102' ' ' ALA . 79.9 t -106.75 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.608 ' HG ' ' HB2' ' A' ' 94' ' ' ALA . 0.9 OUTLIER -95.38 141.44 28.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.603 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 34.8 m -140.01 104.48 6.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.578 ' HB2' HD12 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 139.84 24.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.672 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 26.34 48.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -109.55 -31.44 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.403 ' C ' ' HE3' ' A' ' 35' ' ' MET . . . 65.32 -113.81 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 35' ' ' MET . 0.1 OUTLIER -129.65 150.81 50.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -174.77 -176.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -59.97 -45.08 93.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.543 ' CG ' ' CZ ' ' A' ' 104' ' ' TYR . 2.3 m-20 -50.68 -57.91 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 32' ' ' SER . 1.0 OUTLIER -52.09 -52.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -58.21 -24.91 60.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.622 ' CH2' ' NE2' ' A' ' 41' ' ' GLN . 14.3 t90 -78.85 -32.53 46.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 108.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.66 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -71.03 -56.84 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -42.45 98.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.77 -27.47 61.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.622 ' NE2' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -83.52 -38.84 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.96 53.95 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.463 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 8.3 m-85 -124.98 166.95 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -84.8 86.53 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.615 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.0 116.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.576 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.6 p -143.69 141.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.797 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -177.78 -174.83 44.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.625 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -131.14 162.39 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -124.09 127.49 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -95.77 70.11 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.413 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.43 132.91 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -98.46 -43.71 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.43 87.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -60.44 -35.11 75.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.685 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 2.8 t -62.76 -54.04 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -65.87 -33.18 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -69.9 -39.55 76.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.685 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 2.7 m-30 -72.14 -32.87 67.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -42.42 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.48 -48.07 79.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -76.21 -37.46 57.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 81.86 32.09 30.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.4 mt-10 82.6 151.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.21 -49.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.95 -169.39 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.61 111.05 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.587 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 7.3 mm -95.12 131.03 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.465 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -127.11 144.29 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -117.18 91.39 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.525 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 0.8 OUTLIER -93.83 96.87 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.99 -110.77 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -109.5 12.51 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 22.0 m-30 -120.33 148.12 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.448 ' CD ' HG12 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -103.87 156.91 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 26.1 t -139.15 98.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.692 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.3 t80 -100.4 101.25 12.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.75 134.18 42.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.42 155.8 39.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.23 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.61 -56.44 0.72 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.495 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -107.87 159.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.501 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -102.3 49.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.495 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -100.95 120.13 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.797 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -107.62 103.29 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 108.044 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.471 ' HB2' ' CD1' ' A' ' 77' ' ' TYR . 1.1 t -73.69 140.79 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.585 ' HA2' HG22 ' A' ' 55' ' ' VAL . . . 136.24 -98.93 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.651 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -134.49 163.35 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.616 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 13.2 t80 -113.22 107.73 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 164.29 42.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.35 -42.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.788 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -80.91 -172.44 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.509 ' C ' ' N ' ' A' ' 95' ' ' ARG . 2.7 m -142.79 93.7 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.62 ' HB1' ' CD1' ' A' ' 127' ' ' LEU . . . -49.08 -15.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.9 ttt180 -68.24 -55.96 10.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -69.11 -55.68 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.577 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -56.0 -57.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.565 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -55.84 -73.31 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.63 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 59.25 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.575 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.679 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 18.0 t -143.23 134.81 26.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.795 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.58 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.692 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -162.4 -179.85 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -157.5 121.07 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.543 ' CZ ' ' CG ' ' A' ' 34' ' ' ASP . 52.9 t80 -90.12 114.78 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.56 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 3.5 t0 -101.76 127.39 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -101.24 159.03 15.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.508 ' N ' ' CG ' ' A' ' 106' ' ' ARG . . . -49.28 107.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.411 ' CB ' HD22 ' A' ' 28' ' ' LEU . . . -140.02 -56.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.515 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -66.81 -17.67 64.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.561 ' CG2' HG21 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -69.35 -17.54 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -83.13 -54.79 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.91 169.98 2.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.529 1.804 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.453 ' HA ' ' CZ ' ' A' ' 117' ' ' ARG . . . -76.07 -65.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 114' ' ' ALA . 4.0 m-20 -39.43 -62.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.515 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 5.8 tpt -52.67 -46.22 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.621 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 1.9 mtp180 -51.2 -60.48 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.507 ' CG ' HG23 ' A' ' 161' ' ' VAL . 6.4 mt-10 -49.15 -44.72 42.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.404 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 9.7 mmt180 -66.52 -25.17 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 5.2 t80 -79.05 -48.75 13.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.524 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 1.0 OUTLIER -66.07 -39.1 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -67.4 -50.58 58.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.545 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 37.9 m170 -61.6 -39.42 91.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.558 HD21 ' SD ' ' A' ' 128' ' ' MET . 0.7 OUTLIER -64.41 -64.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.61 ' HB3' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -53.76 -22.14 8.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.2 -60.94 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.62 ' CD1' ' HB1' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -73.58 -11.09 60.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.558 ' SD ' HD21 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.01 176.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.63 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.01 -154.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 201' ' ' VAL . 15.0 mm100 -117.32 -38.39 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.604 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.51 88.92 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.533 ' HB3' ' N ' ' A' ' 102' ' ' ALA . 13.7 m -149.69 147.52 28.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -91.05 118.59 30.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.552 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -97.69 149.6 19.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 197' ' ' VAL . 9.8 tp -140.23 99.17 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.521 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -86.32 142.83 28.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.473 HD11 ' CG2' ' A' ' 195' ' ' VAL . 8.5 mm -125.67 105.6 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.516 ' C ' ' CD1' ' A' ' 139' ' ' LEU . 80.8 p -104.35 176.52 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.601 ' N ' ' CD2' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -150.82 171.42 17.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -131.77 -74.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.581 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.3 m-85 -25.18 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.581 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.1 OUTLIER -25.38 135.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.489 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 16.0 pt20 174.58 -31.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.509 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.39 47.37 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.567 ' CD2' ' C ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 179.63 -30.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.542 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.7 OUTLIER -90.56 148.13 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -66.91 102.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.33 129.13 4.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.32 5.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.474 ' CG ' ' O ' ' A' ' 142' ' ' ASP . 18.3 Cg_endo -75.03 133.89 17.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . 6.1 m-85 -87.95 14.64 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.481 ' OG ' ' O ' ' A' ' 152' ' ' SER . 3.8 p 37.0 60.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.561 HG21 ' CG2' ' A' ' 110' ' ' ILE . 2.5 t -43.65 118.24 2.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -75.03 121.33 6.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.733 ' CG ' ' CE1' ' A' ' 196' ' ' TYR . 2.3 mp0 -37.2 -39.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 157' ' ' TRP . 0.8 OUTLIER -58.36 -47.52 83.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.638 ' O ' ' HG2' ' A' ' 160' ' ' ARG . 60.3 t90 -53.68 -53.98 44.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.563 ' O ' ' HB2' ' A' ' 162' ' ' MET . 0.3 OUTLIER -50.94 -40.8 58.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.644 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -73.23 -18.37 61.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -83.16 -37.67 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.06 -60.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.628 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.2 6.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 161' ' ' VAL . 28.8 t -98.04 101.63 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.575 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 142.72 62.57 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.8 m-20 150.43 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.628 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.69 127.79 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.3 95.16 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.623 ' HB ' ' CE2' ' A' ' 196' ' ' TYR . 31.7 m -77.56 136.85 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -130.86 136.75 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 196' ' ' TYR . 26.0 tttm -66.52 126.25 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.632 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -156.0 165.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 60.52 -155.93 31.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 134.26 -67.62 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 176' ' ' THR . 8.3 tt0 -35.98 144.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . 0.523 ' HA ' ' O ' ' A' ' 191' ' ' MET . 4.8 p-10 -67.69 61.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.509 HG22 ' O ' ' A' ' 176' ' ' THR . 3.7 t -80.41 73.37 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.523 ' CD1' HD23 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -53.53 -20.38 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.436 ' OG ' ' ND2' ' A' ' 6' ' ' ASN . 15.0 t -73.24 -73.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.75 136.85 41.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -72.18 -29.79 64.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -24.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.423 ' N ' ' C ' ' A' ' 181' ' ' ALA . . . -67.41 -54.35 20.32 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.523 HD23 ' CD1' ' A' ' 177' ' ' LEU . 2.0 mm? -72.94 -14.9 61.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.739 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -69.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.542 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.48 68.74 1.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.552 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 3.1 mm? -86.4 -52.18 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 77.99 -4.43 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 1.3 mtt180 158.76 103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.578 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.2 OUTLIER -149.04 142.07 24.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.516 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.3 OUTLIER -59.26 128.8 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -130.92 121.73 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.452 ' CD2' ' N ' ' A' ' 194' ' ' HIS . 0.2 OUTLIER -103.93 155.35 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.62 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.473 ' CG2' HD11 ' A' ' 137' ' ' ILE . 24.1 t -132.48 152.16 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.733 ' CE1' ' CG ' ' A' ' 155' ' ' GLN . 0.0 OUTLIER -145.25 118.93 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 135' ' ' LEU . 41.5 t -85.43 106.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.537 HD21 ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -105.64 102.77 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.92 98.07 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.438 ' HD2' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.2 100.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 130' ' ' GLN . 28.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.8 m170 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -109.71 46.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -65.37 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.53 84.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.7 p -131.81 78.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.1 m-80 33.67 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -45.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 12' ' ' TYR . 1.7 m-20 -62.83 -46.46 87.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 1.5 tm? -50.96 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 14' ' ' SER . 20.4 pt20 -57.33 -33.82 68.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 1.7 tp60 -67.91 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.557 ' CE2' HG21 ' A' ' 171' ' ' VAL . 47.0 m-85 -44.13 -54.75 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.68 -55.46 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.1 m -48.23 -36.2 13.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -82.24 -50.85 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -38.6 -43.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.2 t-20 64.17 50.57 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.05 137.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -43.31 148.96 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 102.84 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 112.54 -9.88 26.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.737 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.17 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.715 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 14.6 mmt85 -78.47 116.51 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.481 ' CG1' HD13 ' A' ' 38' ' ' LEU . 54.5 t -99.4 97.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.497 ' CD2' HD12 ' A' ' 97' ' ' ILE . 1.5 tm? -81.33 152.86 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.539 ' O ' ' CA ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -162.15 124.14 1.67 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.654 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 -64.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.654 ' CD1' ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -144.36 65.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' CD1' ' A' ' 104' ' ' TYR . 34.7 t -112.24 -7.29 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -31.23 94.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mtpm? -119.33 -102.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.5 OUTLIER 178.64 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -75.45 -51.28 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.45 -58.04 7.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.415 ' CG ' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -60.14 -61.53 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 32' ' ' SER . 94.7 p -44.45 -31.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.412 ' CE3' HD21 ' A' ' 38' ' ' LEU . 26.9 t90 -71.68 -49.78 36.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD13 ' CG1' ' A' ' 24' ' ' VAL . 19.6 mt -62.07 -66.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -45.52 -47.09 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.24 -24.69 45.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LEU . 18.3 mm-40 -91.9 -23.94 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 0.788 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.5 72.29 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -137.59 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.448 ' CD2' ' HE ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -93.05 82.4 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.7 106.67 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.52 ' CB ' ' HB3' ' A' ' 83' ' ' GLU . 1.8 p -139.62 110.68 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.705 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -156.12 179.29 32.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -114.18 169.0 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -126.78 99.97 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.571 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 3.0 mm? -68.18 72.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.2 128.2 10.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.44 -53.49 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.71 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -70.67 -37.52 73.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.59 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -58.67 -49.3 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.8 mt-10 -63.24 -46.54 86.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.83 -36.28 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.449 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -66.6 -46.88 74.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.59 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 4.4 m-30 -68.11 -24.67 65.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -36.53 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.21 -39.55 68.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -35.11 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.61 32.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.2 mt-10 75.31 148.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER 161.31 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.03 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.8 113.59 25.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.498 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 39.3 mm -106.39 120.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.435 HG21 HG11 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -122.74 150.6 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -109.59 108.9 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.507 ' CG ' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -95.14 85.56 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.28 -89.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 33.1 t70 -118.19 32.03 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 18.8 m-85 -144.91 173.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.585 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -132.43 156.72 46.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.517 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.5 m -142.47 112.35 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.689 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.51 106.27 15.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.18 132.08 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.45 156.17 35.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.04 2.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.67 -55.08 0.73 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -108.9 164.62 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.4 OUTLIER -106.45 51.73 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.468 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.54 112.58 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.705 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -102.01 105.52 16.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 49' ' ' GLU . 4.4 t -74.43 139.55 44.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.585 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 137.27 -110.45 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.641 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -123.88 164.15 19.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.587 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 12.1 t80 -104.0 107.4 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 163.91 37.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.507 ' HB3' ' CG ' ' A' ' 71' ' ' GLN . . . -136.87 7.16 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.719 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.74 165.65 25.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.524 ' N ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -113.04 91.98 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.58 ' O ' ' HA3' ' A' ' 98' ' ' GLY . . . -46.44 -19.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -84.5 -51.76 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.447 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 76.6 m-20 -55.98 -48.73 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.593 ' CD1' ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -81.06 -33.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.593 ' N ' ' CD1' ' A' ' 97' ' ' ILE . . . -56.14 -78.1 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.645 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.32 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.629 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.772 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 10.4 t -147.85 141.86 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 108.347 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.737 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.69 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.594 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -158.39 167.78 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.666 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -149.16 113.18 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.661 ' CD1' ' SG ' ' A' ' 29' ' ' CYS . 25.1 t80 -91.25 137.8 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.466 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 11.8 t0 -126.16 144.7 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 5.6 tpp180 -105.05 154.71 19.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.503 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -46.1 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.94 -40.96 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.581 ' HB2' ' CG ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -65.82 -30.23 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.503 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -70.36 -10.17 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.415 ' N ' HD11 ' A' ' 110' ' ' ILE . . . -102.0 -35.24 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.527 HD21 ' CG ' ' A' ' 116' ' ' MET . 5.2 mp -89.55 162.76 35.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.623 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.03 -155.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 -68.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 10.5 t70 -40.17 -60.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.527 ' CG ' HD21 ' A' ' 112' ' ' LEU . 9.9 tpp -50.85 -46.99 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.624 ' NH2' ' CG ' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -52.81 -60.84 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.469 ' CG ' HG23 ' A' ' 161' ' ' VAL . 2.6 mt-10 -48.29 -38.83 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -72.67 -25.23 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.624 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 1.2 t80 -78.29 -53.26 7.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.457 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 1.4 m -61.72 -41.6 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 11.3 pt20 -66.09 -48.41 71.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 54.1 m170 -60.78 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.698 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.45 -60.55 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -55.29 -22.35 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.51 -62.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.698 HD13 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -87.31 25.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.68 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -92.09 177.23 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.68 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 8.5 pt20 -112.56 -46.82 3.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.772 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.36 100.93 4.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -156.49 160.13 39.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.451 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -101.45 108.0 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.527 ' CA ' ' CD2' ' A' ' 103' ' ' PHE . . . -85.21 139.37 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.544 ' CD1' HG21 ' A' ' 197' ' ' VAL . 12.0 tp -133.65 98.67 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.544 HD12 ' CE ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -86.1 134.52 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.591 HD13 ' CE2' ' A' ' 104' ' ' TYR . 3.6 mp -120.23 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.471 ' HA ' ' CB ' ' A' ' 107' ' ' ALA . 23.4 p -139.52 -179.92 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.49 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -146.54 174.35 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.498 ' CG ' ' HB2' ' A' ' 192' ' ' ASP . 4.1 pt-20 -130.07 -61.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.627 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.9 OUTLIER -37.17 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.522 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -29.39 146.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER 162.82 -21.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -133.37 47.62 2.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.657 ' CD2' ' C ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 176.96 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.494 HD12 ' CB ' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -87.54 158.89 18.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -73.41 105.83 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.15 124.73 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 127.61 10.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.55 18.77 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 153' ' ' VAL . 7.9 p 40.88 52.81 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 152' ' ' SER . 7.9 p -37.44 119.2 0.87 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.511 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.93 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.5 tm0? -36.92 -47.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -45.15 -45.37 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.623 ' CZ2' ' HB3' ' A' ' 117' ' ' ARG . 63.3 t90 -57.39 -52.19 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.614 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.4 OUTLIER -51.37 -42.24 61.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.584 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.5 t60 -74.1 -17.89 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -81.83 -39.48 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.664 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -113.43 -56.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.736 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.77 6.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.664 ' H ' ' C ' ' A' ' 161' ' ' VAL . 33.2 t -104.75 96.96 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 169.27 46.35 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.587 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.7 m-20 149.53 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.41 128.93 17.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 10.9 mt-10 -82.85 91.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.497 ' HA ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 m -70.76 126.19 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -117.25 152.02 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.41 ' HB3' ' NE2' ' A' ' 155' ' ' GLN . 7.8 pttt -83.04 133.93 35.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.605 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -161.07 169.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.13 -164.26 13.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 179.62 -163.41 30.7 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.4 pm0 -116.76 -177.69 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 59.32 14.62 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.439 ' O ' ' CG2' ' A' ' 176' ' ' THR . 8.9 t -116.52 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.532 ' CD2' ' HA3' ' A' ' 183' ' ' GLY . 0.0 OUTLIER -89.68 -37.4 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 179' ' ' SER . 18.6 m80 -57.79 -44.82 86.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 178' ' ' HIS . 24.8 p -38.31 -68.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t -73.21 119.59 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 182' ' ' ARG . . . -59.84 -51.66 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 181' ' ' ALA . 27.8 mtt180 -38.07 -45.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -54.47 -62.68 5.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 3.7 mt -51.68 -34.89 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.12 74.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.61 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -73.92 -40.09 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.61 77.77 1.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.587 ' HG ' HD23 ' A' ' 145' ' ' LEU . 1.6 mp -111.74 -21.28 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.482 ' HA ' ' CD1' ' A' ' 177' ' ' LEU . 14.7 pt-20 36.14 30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 161.25 100.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.627 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.1 OUTLIER -156.43 144.62 19.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.498 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 2.3 m-20 -81.42 125.39 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.468 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.5 OUTLIER -115.78 128.76 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.464 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.2 OUTLIER -112.45 122.92 49.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.559 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.578 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 31.6 t -114.06 164.78 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 20.3 m-85 -147.34 139.15 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.544 HG21 ' CD1' ' A' ' 135' ' ' LEU . 54.2 t -106.4 98.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.582 ' N ' ' CD2' ' A' ' 198' ' ' LEU . 0.1 OUTLIER -99.02 106.74 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.5 tt0 -76.16 103.27 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 2.9 ttm-85 -69.37 100.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 130' ' ' GLN . 29.9 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 19.7 t60 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -68.72 -72.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.6 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -138.95 84.79 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.1 p -131.7 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER 35.03 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -38.5 -45.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' TYR . 4.1 m-20 -60.15 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.57 HD23 ' CD1' ' A' ' 104' ' ' TYR . 2.7 tm? -45.06 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.32 -35.91 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -70.03 -74.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.618 ' CE2' ' CG1' ' A' ' 171' ' ' VAL . 42.4 m-85 -44.22 -54.52 5.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 5.1 t-105 -53.11 -55.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.7 m -46.03 -34.47 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -84.14 -52.7 6.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER -38.46 -63.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.4 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 59.8 t-20 64.93 52.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 19' ' ' VAL . 14.8 p -67.12 155.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.488 ' C ' ' O ' ' A' ' 18' ' ' VAL . 2.7 p -32.35 140.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.62 3.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.42 -4.84 37.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.763 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -41.4 159.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.748 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 5.8 mmt85 -78.58 123.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.542 ' CG1' HD21 ' A' ' 38' ' ' LEU . 55.5 t -105.02 102.67 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.491 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 3.5 tm? -90.2 137.01 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -136.32 94.34 13.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.523 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.634 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 29.88 40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -117.94 -15.02 10.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -29.59 97.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -104.47 -98.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -178.44 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -77.51 -48.12 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.54 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 8.7 p-10 -53.23 -45.96 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.478 ' CG ' ' N ' ' A' ' 36' ' ' SER . 18.9 ptm -76.62 -50.17 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 32' ' ' SER . 25.7 t -50.23 -33.9 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.944 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.449 ' NE1' ' HG3' ' A' ' 10' ' ' GLN . 17.2 t90 -77.67 -55.37 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD21 ' CG1' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -46.89 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.39 -52.56 64.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.24 -17.78 5.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 37' ' ' TRP . 4.5 tp-100 -92.39 -32.68 14.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.11 60.99 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 28.2 m-85 -139.25 165.87 26.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.462 ' O ' HG13 ' A' ' 46' ' ' VAL . 2.3 t-80 -87.13 80.28 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.576 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.425 HG12 ' CG1' ' A' ' 82' ' ' ILE . 78.9 t -72.35 115.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.59 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.2 p -148.96 107.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.709 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -147.64 -173.09 18.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.679 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -130.38 166.26 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -128.18 134.83 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -101.37 74.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.07 133.03 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -98.25 -49.52 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.24 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.08 -34.23 74.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.636 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.34 -51.21 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 55' ' ' VAL . 4.4 mm-40 -60.02 -42.91 95.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.72 82.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -66.29 -42.99 87.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 2.6 m-30 -71.76 -26.14 62.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -40.46 34.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.1 -44.14 69.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -77.27 -37.12 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.52 37.12 24.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 16.9 mt-10 73.08 149.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 165.5 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -74.97 -173.51 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 114.09 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.4 mm -100.26 130.22 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.502 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -128.72 153.43 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.7 m -100.71 134.0 44.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -142.26 85.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.42 -114.38 5.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.04 24.99 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 87.7 m-85 -140.52 173.41 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.672 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 tttt -126.44 176.23 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.513 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 70.6 t -142.37 102.64 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -108.52 101.57 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.424 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -110.23 141.33 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.19 167.31 9.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.75 -54.12 40.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.476 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.1 OUTLIER -115.24 148.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -97.14 56.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -108.85 112.32 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.709 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -100.01 99.54 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 4.8 t -72.87 140.45 47.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.672 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.49 -100.69 0.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.621 ' HB3' ' CB ' ' A' ' 74' ' ' PHE . 3.6 p-10 -118.74 164.06 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.636 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 5.6 t80 -127.01 96.19 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.67 58.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.9 -42.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.751 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -79.18 -175.84 4.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.463 ' C ' ' N ' ' A' ' 95' ' ' ARG . 4.4 m -125.3 86.73 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.529 ' HA ' ' CG1' ' A' ' 97' ' ' ILE . . . -53.04 -13.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.98 -56.62 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.59 ' CD1' HG11 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -80.8 -34.44 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.501 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -74.17 -76.66 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER 66.68 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.593 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.701 ' HA ' ' SG ' ' A' ' 132' ' ' CYS . 0.1 OUTLIER -148.15 144.05 27.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.763 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.75 -111.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.645 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -167.04 172.31 10.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.65 ' N ' HH22 ' A' ' 200' ' ' ARG . 0.1 OUTLIER -151.7 152.13 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.58 ' CE1' HD11 ' A' ' 137' ' ' ILE . 3.1 t80 -115.55 117.73 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.618 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . 2.0 t0 -101.71 141.04 35.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -111.65 172.36 6.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.564 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -61.45 88.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.411 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -121.45 -49.79 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.482 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -65.09 -31.36 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.564 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -63.96 -11.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.455 ' N ' HD11 ' A' ' 110' ' ' ILE . . . -88.72 -62.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.69 167.85 5.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -73.41 -66.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.3 m-20 -39.47 -63.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.566 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 31.2 tpp -51.96 -46.79 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.625 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 8.3 mtm180 -54.83 -37.58 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.437 ' CD ' HG23 ' A' ' 161' ' ' VAL . 1.3 mt-10 -66.32 -48.69 69.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -67.96 -20.16 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.53 ' CD1' HD12 ' A' ' 112' ' ' LEU . 1.6 t80 -75.63 -52.44 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.493 ' HB ' ' CG ' ' A' ' 162' ' ' MET . 1.4 m -62.54 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -60.25 -50.2 74.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 8.5 m80 -55.24 -39.72 70.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -62.26 -64.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.655 ' HG3' ' CE2' ' A' ' 166' ' ' TRP . 13.6 mm-40 -53.33 -19.13 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.04 -57.66 3.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.628 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -87.71 2.62 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.712 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.5 mmt -65.72 177.09 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER 171.69 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.663 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -125.28 83.03 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.701 ' SG ' ' HA ' ' A' ' 100' ' ' CYS . 4.7 m -148.84 165.35 31.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.453 ' C ' HH21 ' A' ' 200' ' ' ARG . 0.2 OUTLIER -111.19 108.68 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.593 ' N ' HH21 ' A' ' 200' ' ' ARG . . . -88.52 153.01 23.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.533 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.5 OUTLIER -139.1 99.44 3.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.506 HD23 ' CG2' ' A' ' 138' ' ' THR . 0.3 OUTLIER -82.78 135.28 35.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.58 HD11 ' CE1' ' A' ' 104' ' ' TYR . 3.5 mp -125.86 94.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.506 ' CG2' HD23 ' A' ' 136' ' ' LEU . 32.4 p -103.83 172.16 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.595 HD21 ' N ' ' A' ' 139' ' ' LEU . 0.1 OUTLIER -129.5 174.56 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -132.77 -73.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 142' ' ' ASP . 49.3 t80 -35.07 -71.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.51 ' HB3' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.4 138.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 1.6 pp0? 173.63 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -125.06 48.47 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.52 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.6 OUTLIER -88.9 151.22 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -59.7 101.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.97 137.56 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.418 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.02 131.43 14.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.467 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -84.13 16.46 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.5 p 35.68 51.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.481 HG11 ' CG2' ' A' ' 110' ' ' ILE . 11.2 p -35.75 117.98 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.486 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.99 133.45 16.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.598 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.9 tt0 -46.22 -48.13 17.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.486 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.0 OUTLIER -43.93 -44.46 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.625 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 76.4 t90 -58.38 -52.38 65.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.645 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.6 mp -52.75 -35.83 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.65 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -79.57 -18.24 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -82.73 -38.54 23.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.63 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.16 -57.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.678 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -59.92 6.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 12.3 t -93.58 107.18 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.84 59.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.1 m-20 147.6 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.93 133.37 20.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.983 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 mt-10 -93.9 100.91 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.474 HG12 ' CD2' ' A' ' 198' ' ' LEU . 26.7 m -74.86 130.08 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -120.33 141.3 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' A' ' 171' ' ' VAL . 0.0 OUTLIER -59.41 131.95 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.618 ' CG1' ' CE2' ' A' ' 12' ' ' TYR . 98.6 t -155.8 170.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.478 ' N ' ' CG1' ' A' ' 171' ' ' VAL . . . 64.56 -172.26 18.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -174.39 -140.16 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -125.23 175.04 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.44 18.1 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.466 ' CG2' ' HB3' ' A' ' 193' ' ' GLU . 9.6 t -116.43 74.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.466 HD23 ' HB2' ' A' ' 188' ' ' LEU . 2.3 tm? -78.34 -37.05 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -84.48 46.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 176' ' ' THR . 32.1 t -137.44 -44.7 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 4.8 t -93.83 118.8 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.36 69.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 106' ' ' ARG . 1.3 mmt180 -57.95 -17.58 17.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.467 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -75.46 -42.03 28.56 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -85.67 -14.71 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -48.2 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.52 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -89.94 -29.58 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.47 68.37 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 3.0 mm? -86.15 -36.24 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.8 pt-20 49.54 19.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.553 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 153.27 96.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.479 ' HB3' ' HB3' ' A' ' 188' ' ' LEU . 1.4 ptt? -153.3 155.18 36.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.52 127.82 34.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 173' ' ' GLY . 28.5 tt0 -118.47 111.46 18.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -98.02 122.74 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.636 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 47.1 t -112.72 162.24 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 26.1 m-85 -155.2 133.43 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 171' ' ' VAL . 53.6 t -93.93 105.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.5 HD21 ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -96.53 104.62 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.654 ' CZ ' ' HB2' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -66.59 97.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 130' ' ' GLN . 35.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -36.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -58.41 7.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 2.0 pt-20 -140.09 84.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.499 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.2 p -131.72 78.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.499 ' O ' ' O ' ' A' ' 5' ' ' VAL . 12.0 m-80 37.33 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -45.75 -37.66 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -66.84 -48.51 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 3.3 tm? -51.42 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.84 -33.76 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 5.9 tp60 -69.33 -79.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' OH ' ' HB ' ' A' ' 171' ' ' VAL . 40.1 m-85 -44.17 -53.47 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.686 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 6.5 t-105 -51.37 -57.13 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 5.9 m -47.03 -34.67 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -82.17 -44.81 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -46.45 -41.47 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 23.6 t-20 64.92 42.78 4.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG13 ' HB1' ' A' ' 22' ' ' ALA . 37.8 t -48.41 145.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 HG21 ' CB ' ' A' ' 22' ' ' ALA . 2.4 m -53.26 150.95 10.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.62 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.57 -8.57 28.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.766 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -41.0 153.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.777 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 23.3 mmt85 -90.66 132.56 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.575 ' CG1' HD13 ' A' ' 38' ' ' LEU . 60.7 t -108.82 109.78 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.596 ' HB3' ' HB2' ' A' ' 103' ' ' PHE . 1.6 tm? -79.5 128.18 33.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.586 ' CG1' ' O ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -118.56 90.3 39.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.71 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.0 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.63 ' CD2' ' CD1' ' A' ' 89' ' ' PHE . 0.0 OUTLIER 42.42 26.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.53 ' HB3' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -95.04 -30.14 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.501 ' HA2' ' CD1' ' A' ' 84' ' ' ILE . . . 59.17 -116.88 9.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -103.85 167.63 9.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER 168.67 164.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -49.04 -41.74 36.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.627 ' OD1' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.3 -58.18 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.474 ' CE ' HG13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -47.59 -51.83 19.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -38.36 83.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 69.4 t90 -62.33 -39.87 94.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 107.997 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.575 HD13 ' CG1' ' A' ' 24' ' ' VAL . 9.2 mt -67.21 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.3 -32.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.78 -38.2 37.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 9.7 mm-40 -71.35 -32.79 68.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.95 66.45 0.61 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -132.12 172.17 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 46.3 m170 -99.83 91.96 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.614 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.3 t -85.31 120.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.584 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -144.83 114.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.67 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -162.49 -173.45 31.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.717 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -138.07 160.85 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.632 ' HG3' ' HA ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -123.9 118.04 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.7 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 3.4 mm? -75.1 82.65 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.402 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.3 132.81 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -98.36 -49.44 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.13 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 58' ' ' TYR . . . -66.35 -34.0 76.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.663 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -62.66 -53.32 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' HG13 ' A' ' 55' ' ' VAL . 2.4 mt-10 -59.26 -43.33 92.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.62 -40.09 93.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -61.67 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.663 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 1.9 m-30 -73.94 -24.25 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -76.99 -42.07 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -47.14 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 71.97 32.81 63.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 1.4 mt-10 84.03 142.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 164.23 -50.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.0 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.27 113.06 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.619 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 8.4 mm -110.58 127.17 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.515 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -135.41 145.94 47.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 t -109.95 114.35 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -110.66 98.01 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.76 -106.02 1.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.16 21.7 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CE1' ' OD2' ' A' ' 88' ' ' ASP . 20.0 m-85 -130.11 172.66 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 6.1 tttp -134.61 164.63 27.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.515 ' CG1' HG21 ' A' ' 69' ' ' THR . 0.2 OUTLIER -142.16 118.7 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.782 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -118.14 100.53 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.82 133.9 42.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.77 152.9 37.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.08 -53.88 0.65 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.485 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -111.23 163.72 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.52 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -101.16 48.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.501 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -105.09 118.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.734 ' HA ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -112.43 119.81 39.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.632 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 8.1 t -83.79 148.79 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 128.7 -99.77 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.609 ' OD2' ' CE1' ' A' ' 74' ' ' PHE . 12.6 t70 -130.36 163.18 27.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.7 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -140.16 126.78 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 157.0 41.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.31 36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.562 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -126.44 -1.34 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.452 ' O ' HG21 ' A' ' 97' ' ' ILE . 7.5 m 51.08 83.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.395 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.52 ' CB ' ' HG ' ' A' ' 25' ' ' LEU . . . -60.38 -12.06 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 128' ' ' MET . 36.8 ttt85 -82.96 -43.29 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -26.69 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.681 ' O ' ' CE1' ' A' ' 99' ' ' HIS . 0.8 OUTLIER -91.78 -29.05 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -82.88 -70.88 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 3.0 p-80 54.25 -73.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.623 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.699 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 31.9 p -141.33 137.03 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.777 ' CB ' ' O ' ' A' ' 23' ' ' ARG . . . 146.19 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.686 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -171.79 -175.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -158.98 147.05 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.71 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 16.0 t80 -117.68 120.47 38.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 1.7 t0 -106.34 137.68 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.49 ' HG2' ' HA ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -112.45 172.02 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.539 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -50.88 112.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -156.38 -59.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.685 ' HG3' ' CZ ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -69.92 -9.45 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.551 ' CG2' HG21 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -83.97 -12.86 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.455 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -99.87 -9.4 22.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.546 HD21 ' CG ' ' A' ' 116' ' ' MET . 5.3 mp -98.45 165.99 14.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -56.92 -64.31 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.4 m-20 -39.86 -55.82 1.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.546 ' CG ' HD21 ' A' ' 112' ' ' LEU . 11.0 tpp -59.62 -45.22 92.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.732 ' HD2' ' CH2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -54.71 -38.93 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.435 ' CD ' HG23 ' A' ' 161' ' ' VAL . 1.8 mt-10 -67.18 -50.95 59.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.514 ' HD3' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -64.21 -20.67 66.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.591 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 3.0 t80 -78.27 -55.8 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.517 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 2.2 m -57.39 -41.7 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 7.8 pt20 -67.34 -46.67 72.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.514 ' CE1' ' HD3' ' A' ' 119' ' ' ARG . 14.0 m170 -58.19 -40.41 81.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.66 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -66.08 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -53.41 -18.7 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.47 -63.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -84.3 14.89 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.699 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -80.89 177.0 3.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.01 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.22 -38.06 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.95 90.04 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.53 ' HB2' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -146.27 149.74 34.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -95.92 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.573 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -91.21 147.76 19.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.518 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.4 OUTLIER -139.57 104.94 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.479 ' CD2' ' HB3' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -86.46 137.95 32.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.548 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 6.0 mm -123.68 92.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 110' ' ' ILE . 31.1 p -97.47 168.36 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.603 ' CD2' ' CE ' ' A' ' 191' ' ' MET . 0.4 OUTLIER -149.26 165.11 32.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.37 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.54 ' OE2' ' CD2' ' A' ' 194' ' ' HIS . 5.7 pt-20 -131.11 -59.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.486 ' O ' ' CG ' ' A' ' 143' ' ' GLN . 58.7 t80 -38.0 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.571 ' O ' ' CB ' ' A' ' 143' ' ' GLN . 0.0 OUTLIER -35.91 153.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.571 ' CB ' ' O ' ' A' ' 142' ' ' ASP . 1.1 pp0? 154.63 -16.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.6 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.14 42.62 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.734 ' C ' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 176.27 -33.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.69 151.91 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.409 ' O ' ' CG ' ' A' ' 147' ' ' GLU . 4.8 pt-20 -66.01 109.24 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.464 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 81.51 120.32 0.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.03 110.94 3.21 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.04 139.2 23.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -97.42 7.16 47.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 151' ' ' PHE . 1.1 p 58.63 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.551 HG21 ' CG2' ' A' ' 110' ' ' ILE . 3.8 t -124.38 121.22 26.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.525 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -39.75 -47.24 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.525 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -44.79 -41.76 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.431 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.732 ' CH2' ' HD2' ' A' ' 117' ' ' ARG . 54.4 t90 -63.75 -48.17 78.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.616 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.4 OUTLIER -56.39 -35.49 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.638 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -82.22 -17.52 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -82.08 -39.03 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.716 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.4 -59.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.64 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.54 5.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.659 ' H ' ' C ' ' A' ' 161' ' ' VAL . 16.0 t -95.37 108.22 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 133.62 64.05 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 6.2 m-20 151.19 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.81 148.14 32.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -96.05 86.29 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 159' ' ' HIS . 17.9 m -70.59 128.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -124.26 135.11 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 129.68 40.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.555 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -159.13 166.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 80.68 -149.24 29.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.01 -126.46 1.72 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.43 171.78 13.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.36 9.7 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.542 ' O ' ' CG2' ' A' ' 176' ' ' THR . 13.6 t -116.23 74.12 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.517 HD11 ' N ' ' A' ' 189' ' ' GLU . 8.8 tt -90.55 -48.4 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -28.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.493 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 1.8 m -60.93 -51.59 68.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' LEU . 95.2 p -94.84 157.05 16.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 184' ' ' LEU . . . -91.09 -34.13 15.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -43.97 -33.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.512 ' HA2' ' CD1' ' A' ' 188' ' ' LEU . . . -64.97 -39.28 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 181' ' ' ALA . 0.9 OUTLIER -78.21 -21.03 50.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -46.75 53.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.626 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -90.62 -40.06 12.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 91.93 79.22 1.4 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.681 ' HG ' ' CD2' ' A' ' 145' ' ' LEU . 3.6 mp -112.64 -17.16 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 33.65 32.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 152.45 89.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 139' ' ' LEU . 25.0 ptt? -139.46 137.72 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 113.47 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 173' ' ' GLY . 13.3 tt0 -125.45 114.27 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.54 ' CD2' ' OE2' ' A' ' 140' ' ' GLU . 69.9 m-70 -95.37 123.16 38.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.591 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 15.7 t -103.07 152.5 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 23.5 m-85 -144.55 115.58 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . . . . . . . . . 72.3 t -84.1 101.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.481 ' CD2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -100.8 109.17 21.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -79.26 97.75 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.4 103.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -83.11 53.06 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -71.72 -59.3 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -140.5 84.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.507 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.5 p -132.02 78.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.507 ' O ' ' O ' ' A' ' 5' ' ' VAL . 12.1 m-80 34.28 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -43.56 -39.67 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.477 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 4.7 m-20 -63.78 -52.85 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 2.8 tm? -48.76 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.3 pt20 -55.74 -29.59 59.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 14.7 tp60 -73.06 -79.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 8' ' ' ASP . 47.6 m-85 -43.89 -41.73 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.608 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 3.9 t-105 -66.03 -44.89 83.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -56.84 -29.46 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -40.16 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.1 mt -56.14 -40.96 74.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t30 41.21 41.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 19' ' ' VAL . 11.9 p -49.37 155.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 18' ' ' VAL . 4.6 m -33.12 142.08 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 105.37 -4.51 40.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.791 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -39.64 158.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.787 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 14.1 mmt85 -83.8 120.1 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 44' ' ' HIS . 2.8 m -105.75 118.79 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.592 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -101.59 137.43 39.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.628 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 35.8 m -138.92 104.83 7.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.57 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 136.63 20.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.692 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.56 48.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 9.2 t -98.31 -34.18 10.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.3 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.469 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 54.8 -116.24 6.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 132.2 46.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.76 154.9 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 20.8 mm-40 -55.69 -35.86 66.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.42 -58.24 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -54.27 -57.39 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -33.03 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.584 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 15.3 t90 -72.01 -38.31 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.579 HD22 ' CZ2' ' A' ' 13' ' ' TRP . 86.0 mt -64.93 -59.38 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.0 m -51.67 -43.55 62.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.2 71.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -84.13 -37.58 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.44 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CE1' ' HB3' ' A' ' 41' ' ' GLN . 10.2 m-85 -123.07 175.01 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.627 ' O ' HG23 ' A' ' 24' ' ' VAL . 0.6 OUTLIER -89.2 75.39 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.608 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 85.4 t -65.85 110.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 1.4 p -141.88 114.65 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.665 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -147.93 -176.91 21.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.626 ' CB ' ' CE2' ' A' ' 85' ' ' TRP . . . -130.59 161.91 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.571 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.91 122.73 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.668 HD23 ' CB ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -96.31 67.02 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.562 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 68.7 m -153.6 98.82 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.423 ' HA ' HG12 ' A' ' 55' ' ' VAL . 3.9 tt0 -60.83 -61.19 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.04 -36.11 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 51' ' ' SER . . . -61.05 -55.52 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG23 ' N ' ' A' ' 56' ' ' GLU . 0.9 OUTLIER -50.8 -36.7 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.604 ' N ' HG23 ' A' ' 55' ' ' VAL . 14.9 mt-10 -65.23 -44.67 87.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.514 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.23 -31.91 72.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.504 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -75.46 -35.79 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.6 ' CE2' HG21 ' A' ' 55' ' ' VAL . 8.2 m-30 -71.86 -30.87 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -34.8 26.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.37 -39.09 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -87.12 -33.95 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.54 40.31 32.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.7 mt-10 74.3 146.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.793 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 163.33 -49.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.04 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 77' ' ' TYR . 4.3 t60 -90.05 111.97 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.571 HD13 ' CE1' ' A' ' 59' ' ' PHE . 5.3 mm -108.49 130.87 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.536 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -136.22 143.42 44.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 m -95.5 120.18 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.47 85.08 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.29 -111.27 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 18.47 18.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.1 m-85 -133.65 172.57 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.593 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -132.51 164.33 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.536 ' CG1' HG21 ' A' ' 69' ' ' THR . 0.2 OUTLIER -143.09 108.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.736 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -116.49 100.57 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -97.99 154.15 17.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.77 156.01 56.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.12 -52.62 2.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.516 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -130.02 173.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.506 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -97.74 43.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.516 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -99.86 108.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.796 ' CZ2' ' HB3' ' A' ' 92' ' ' LEU . 1.4 p-90 -101.03 104.58 15.73 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -68.32 149.46 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.602 ' N ' HG13 ' A' ' 55' ' ' VAL . . . 132.24 -105.0 0.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.681 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.1 t70 -140.65 163.25 33.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.679 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -114.05 133.43 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.645 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 153.88 40.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 90' ' ' PHE . . . 175.36 51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.796 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -139.1 -5.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.4 ' C ' ' N ' ' A' ' 95' ' ' ARG . 0.0 OUTLIER 38.74 79.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.617 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -58.68 -11.52 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 127' ' ' LEU . 1.8 ptt85 -80.65 -45.31 17.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -67.59 -45.95 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.522 ' CD1' ' CG2' ' A' ' 46' ' ' VAL . 0.2 OUTLIER -74.82 -40.3 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -66.79 -75.99 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 1.6 t-80 64.08 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.675 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.7 t -144.8 137.83 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.791 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.77 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.608 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -168.49 -173.8 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 4.4 p90 -168.85 138.43 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 34' ' ' ASP . 3.2 t80 -103.05 117.17 33.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.518 ' HB2' ' CD1' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -96.98 128.1 43.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -96.97 165.25 12.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.523 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -58.87 101.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -134.27 -53.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.454 ' O ' ' CG ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -65.25 -28.11 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.523 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -62.17 -15.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.3 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.585 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.83 169.79 0.49 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.537 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -66.35 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 t0 -39.25 -56.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.585 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 28.2 tpp -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.621 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 32.5 mtp180 -51.92 -45.65 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.513 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 9.7 mt-10 -66.0 -46.43 78.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.441 ' O ' ' ND1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -62.49 -23.3 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -78.57 -51.4 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.531 ' O ' ' CZ2' ' A' ' 166' ' ' TRP . 1.1 m -61.31 -41.58 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 9.9 pt20 -66.85 -48.51 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.6 m170 -55.49 -41.76 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.63 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.516 ' CD2' HD12 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -67.57 -60.39 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.634 ' HB2' ' CZ2' ' A' ' 166' ' ' TRP . 0.2 OUTLIER -51.63 -20.96 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.05 -58.92 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.628 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -81.15 3.73 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.687 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.9 mmt -71.74 175.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.687 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -74.97 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 mt-30 -105.63 -48.55 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.673 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.33 97.06 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 33.4 m -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -103.16 107.5 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.682 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.77 149.68 20.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -144.12 109.43 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.558 ' CD2' ' CG2' ' A' ' 138' ' ' THR . 0.3 OUTLIER -91.85 144.75 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.483 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 13.9 mm -127.42 98.08 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.558 ' CG2' ' CD2' ' A' ' 136' ' ' LEU . 78.8 p -106.31 168.55 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.561 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -135.29 164.17 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.6 tm-20 -118.08 -82.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.552 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.1 m-85 -27.64 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.552 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -28.68 139.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 7.0 pt20 168.37 -28.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.4 44.03 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 179.89 -31.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.524 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.8 OUTLIER -87.44 143.77 27.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -53.54 106.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 77.66 131.58 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.96 3.91 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.5 13.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -79.94 9.92 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 153' ' ' VAL . 6.8 p 47.74 46.24 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.501 ' O ' ' OH ' ' A' ' 196' ' ' TYR . 8.1 p -36.83 115.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.94 28.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 8.7 tm0? -55.5 -44.65 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 160' ' ' ARG . 11.3 t -52.63 -39.75 62.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.621 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 70.8 t90 -62.06 -52.01 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.1 mt -52.47 -46.42 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.536 ' O ' ' CB ' ' A' ' 163' ' ' SER . 9.1 t-80 -69.93 -20.11 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.613 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.01 -32.88 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.613 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -114.32 -70.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -39.8 -29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 1.9 t -50.97 109.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -168.67 -44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.669 ' O ' HG21 ' A' ' 201' ' ' VAL . 21.8 m-80 -149.65 -49.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.634 ' CZ2' ' HB2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -80.05 96.71 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.658 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.4 mm-40 -64.89 96.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.566 ' HA ' ' HA ' ' A' ' 198' ' ' LEU . 1.4 m -74.52 138.51 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.51 ' CG2' HG13 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -129.56 142.94 50.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 138.03 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.601 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -168.23 170.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.601 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.68 -152.82 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.495 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 178.52 172.59 43.05 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pm0 -97.84 171.23 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 54.9 21.41 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.467 ' O ' ' CG2' ' A' ' 176' ' ' THR . 12.6 t -116.55 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -75.57 -41.08 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -53.57 -30.36 41.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 1.0 OUTLIER -42.2 -39.41 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.9 t -122.26 165.11 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -91.33 -31.89 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -25.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.531 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -64.23 -54.84 27.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.445 ' CD1' HD12 ' A' ' 177' ' ' LEU . 0.7 OUTLIER -74.27 -15.15 60.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -37.53 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.524 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -95.09 -38.81 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 99.39 66.75 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.554 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 2.8 mm? -87.73 -52.65 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.63 -1.46 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.337 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 160.68 116.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.487 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -167.28 153.49 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.0 m-20 -77.69 135.06 38.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.495 ' O ' ' O ' ' A' ' 173' ' ' GLY . 7.0 tt0 -122.43 120.88 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -103.22 122.66 45.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.528 ' O ' ' O ' ' A' ' 171' ' ' VAL . 11.6 t -111.21 151.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 19.0 m-85 -139.7 114.34 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.51 HG13 ' CG2' ' A' ' 169' ' ' THR . 7.8 p -90.72 106.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.658 ' HA ' ' O ' ' A' ' 167' ' ' GLU . 0.1 OUTLIER -103.3 144.33 31.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.3 mt-10 -112.08 97.72 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.3 OUTLIER -63.22 93.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.669 HG21 ' O ' ' A' ' 165' ' ' ASN . 34.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 4' ' ' GLU . 1.8 mt-30 -38.84 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 65.47 -75.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -140.59 85.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.4 p -131.58 78.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.511 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 3.9 t30 33.75 92.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.68 -35.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 2.4 m-20 -66.38 -52.82 42.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 13' ' ' TRP . 3.3 tm? -52.64 -65.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.8 pp0? -53.94 -31.28 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.55 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.3 tt0 -69.42 -78.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' LEU . 25.1 m-85 -44.08 -54.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.625 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 1.4 t-105 -51.82 -54.33 30.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 7.5 t -48.64 -34.11 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 16' ' ' LEU . 56.5 m -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' TYR . 10.8 mt -35.28 -43.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 17' ' ' ASN . 37.9 t30 60.39 40.56 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.524 ' CG1' ' CB ' ' A' ' 22' ' ' ALA . 87.3 t -41.78 143.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.438 HG21 HG12 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -37.85 152.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.55 2.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 42' ' ' GLY . . . 104.67 -0.6 42.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.776 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.69 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.708 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -91.25 128.33 37.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.513 ' CG1' HD12 ' A' ' 38' ' ' LEU . 15.9 t -104.37 111.92 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 94' ' ' ALA . 1.3 tm? -87.96 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.535 ' HB ' ' HA3' ' A' ' 47' ' ' GLY . 0.9 OUTLIER -130.35 121.1 19.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.525 ' HD3' ' CD1' ' A' ' 103' ' ' PHE . 18.4 Cg_endo -75.0 -43.98 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD23 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -169.45 24.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -78.25 -15.79 58.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 66.0 -114.07 6.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -125.12 -98.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.46 -162.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -70.7 -37.82 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.6 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.3 p-10 -53.32 -57.7 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.505 ' CB ' ' HA ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -62.49 -58.23 8.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.469 ' HA ' ' CE ' ' A' ' 35' ' ' MET . 21.7 m -44.43 -37.19 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.447 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 63.8 t90 -70.57 -44.52 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.513 HD12 ' CG1' ' A' ' 24' ' ' VAL . 71.8 mt -58.08 -62.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.495 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 64.2 p -50.13 -41.86 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.31 -30.24 75.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -73.46 -38.26 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' A' ' 21' ' ' GLY . . . 114.39 46.2 0.64 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -115.8 172.7 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.51 93.22 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' CD1' ' A' ' 82' ' ' ILE . 77.5 t -75.76 112.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.611 ' CG1' ' HB3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -135.29 127.91 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.758 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 173.82 176.58 42.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.567 ' HB3' ' CE3' ' A' ' 85' ' ' TRP . . . -111.56 168.28 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -125.06 93.56 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -63.02 75.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -152.48 130.8 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.84 73.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.19 -41.34 73.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.499 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -56.51 -52.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.55 -46.27 90.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -57.88 -37.53 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -66.55 -42.63 86.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.571 ' CZ ' HG22 ' A' ' 68' ' ' ILE . 3.4 m-30 -68.41 -27.53 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -39.81 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.01 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 4.0 mtt-85 -84.21 -35.03 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 77.28 40.22 24.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.7 mt-10 77.85 150.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.87 -49.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.19 112.08 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.626 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.571 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 1.9 mm -98.46 138.62 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.52 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.65 149.85 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -113.5 96.13 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.517 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 56.2 mm-40 -85.02 85.09 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.58 -91.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 1.7 t70 -117.09 26.39 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.626 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 21.1 m-85 -136.08 169.48 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -121.52 157.61 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.52 ' HB ' ' CG2' ' A' ' 69' ' ' THR . 26.0 t -141.59 100.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.6 t80 -103.35 101.64 11.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.58 131.64 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 158.23 34.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.95 -55.75 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.506 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -103.32 142.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.611 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.6 OUTLIER -93.88 49.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.506 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.93 122.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.758 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -105.25 101.45 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 2.9 t -70.41 127.31 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.413 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 149.35 -106.96 0.34 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.626 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -128.53 163.67 24.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.612 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 2.9 t80 -108.42 107.9 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 166.35 40.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.517 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -152.24 23.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.687 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -149.26 159.96 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.97 101.58 11.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.373 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.569 ' HB3' ' HG ' ' A' ' 25' ' ' LEU . . . -56.16 -18.45 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -85.29 -38.77 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 9.0 t0 -64.42 -41.67 96.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.623 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.2 OUTLIER -84.45 -46.13 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -52.24 -68.82 1.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.754 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.4 OUTLIER 47.88 -89.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 76.7 m -135.12 132.53 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.776 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.19 -106.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.625 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -172.96 -173.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -157.34 152.22 25.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.623 ' N ' ' CD1' ' A' ' 103' ' ' PHE . 2.0 t80 -123.24 122.89 39.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.596 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -112.9 153.75 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.75 172.09 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.466 ' CB ' ' CD2' ' A' ' 139' ' ' LEU . . . -57.87 100.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.58 -43.06 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.728 ' HA ' ' HD3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -70.59 -7.29 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 151' ' ' PHE . 1.2 pp -87.75 -11.01 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.472 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -103.25 -47.06 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.537 HD21 ' CG ' ' A' ' 116' ' ' MET . 3.4 mp -75.1 164.12 63.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.86 -49.56 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 9.6 t70 -55.52 -60.97 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.603 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 25.4 tpp -51.15 -56.27 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.728 ' HD3' ' HA ' ' A' ' 109' ' ' MET . 0.1 OUTLIER -53.45 -38.18 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 1.2 mt-10 -60.55 -43.32 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.441 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 3.7 mmt180 -73.06 -24.18 60.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.411 ' CD1' ' NH2' ' A' ' 117' ' ' ARG . 1.6 t80 -77.87 -44.55 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 117' ' ' ARG . 1.5 m -66.96 -42.77 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 3.2 pt20 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.457 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 47.5 m170 -63.64 -34.24 77.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.6 OUTLIER -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.578 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -53.3 -26.72 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.447 ' N ' ' OE1' ' A' ' 125' ' ' GLU . . . -72.76 -49.25 32.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.621 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -85.31 -3.21 58.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.638 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.4 mmt -65.16 174.99 1.14 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.754 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.1 Cg_endo -75.02 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 201' ' ' VAL . 9.9 tt0 -110.31 -39.56 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.647 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -141.75 93.57 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -151.63 144.05 24.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.572 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -93.64 107.63 19.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -84.86 143.01 20.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD12 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -129.92 100.62 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.524 ' CD2' ' SD ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.88 130.19 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.457 HD12 ' CG2' ' A' ' 195' ' ' VAL . 13.5 mm -115.47 107.18 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.514 ' O ' ' CD1' ' A' ' 139' ' ' LEU . 1.2 p -120.91 172.23 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.587 ' N ' ' CD2' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -139.18 176.26 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 141' ' ' TYR . 3.0 tt0 -131.26 -80.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.577 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.6 m-85 -24.36 -81.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.582 ' HB3' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -25.76 139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 6.8 pt20 175.86 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.53 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -126.06 50.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.563 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.19 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.526 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.5 OUTLIER -91.3 150.49 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 147' ' ' GLU . 0.8 OUTLIER -64.78 102.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.7 125.42 2.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.466 ' CA ' ' HB ' ' A' ' 110' ' ' ILE . 18.2 Cg_endo -75.01 135.46 19.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -89.93 18.05 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 153' ' ' VAL . 5.0 p 41.68 50.16 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 152' ' ' SER . 7.6 p -39.26 114.07 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.442 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -74.98 127.87 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.608 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.7 OUTLIER -42.97 -31.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 6.0 t -57.66 -38.03 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.586 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 75.7 t90 -64.67 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 108.021 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.5 mt -51.88 -28.12 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.702 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.6 OUTLIER -84.8 -21.31 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.4 OUTLIER -84.01 -34.08 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -113.99 -63.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.93 6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 14.2 t -95.23 97.94 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 147.83 60.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.567 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.1 m120 151.12 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.02 145.24 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.2 mm-40 -98.97 94.09 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.552 HG13 ' CD2' ' A' ' 198' ' ' LEU . 0.2 OUTLIER -81.39 131.05 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.524 ' CB ' HG11 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.77 148.57 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.384 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.57 ' N ' HE21 ' A' ' 155' ' ' GLN . 0.2 OUTLIER -66.01 133.47 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.561 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -164.12 167.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.62 -139.2 14.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 171.35 157.85 14.13 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -105.78 168.88 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.16 21.94 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 176' ' ' THR . 12.3 t -109.31 74.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.478 ' CD1' HD11 ' A' ' 184' ' ' LEU . 2.5 tm? -60.74 -47.86 84.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.89 62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.59 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 36.8 t -159.24 -43.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 30.2 t -91.39 135.66 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.06 29.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -19.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.505 ' CA ' ' CE ' ' A' ' 191' ' ' MET . . . -66.76 -46.73 72.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.478 HD11 ' CD1' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -85.82 -15.55 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -52.51 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.526 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -84.68 -29.63 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.82 67.47 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.582 ' CD1' ' HB3' ' A' ' 142' ' ' ASP . 3.1 mm? -85.15 -43.5 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 190' ' ' ARG . 3.7 mm-40 59.93 12.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 6.2 ptm180 159.31 104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.507 ' HA ' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -162.42 149.11 13.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 19.6 t0 -82.97 134.09 35.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 30.5 tt0 -116.06 121.55 42.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.497 ' O ' ' OG1' ' A' ' 138' ' ' THR . 31.4 m-70 -106.11 123.14 47.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.586 ' CG1' HD12 ' A' ' 135' ' ' LEU . 21.6 t -117.33 149.55 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.608 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 18.0 m-85 -140.37 117.12 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.59 ' CG1' ' O ' ' A' ' 197' ' ' VAL . 0.8 OUTLIER -83.76 103.53 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.552 ' CD2' HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -100.97 103.92 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.447 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.02 99.74 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -66.8 103.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.481 ' N ' HH11 ' A' ' 200' ' ' ARG . 16.9 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 3.7 mt-30 -82.77 50.42 1.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -68.38 -56.65 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.2 pt-20 -140.67 84.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.51 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.8 p -131.9 78.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.647 ' ND2' ' HZ2' ' A' ' 31' ' ' LYS . 8.1 m-20 37.71 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.578 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -49.79 -36.86 27.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' ' HE3' ' A' ' 7' ' ' LYS . 26.8 m-20 -71.64 -26.58 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.819 HD22 ' CE2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -71.15 -66.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' SER . 14.7 pt20 -60.1 -29.55 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.9 tp60 -66.13 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.662 ' CD1' HG21 ' A' ' 197' ' ' VAL . 13.7 m-85 -44.66 -54.15 6.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.701 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 6.5 t-105 -48.52 -55.4 11.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 107.946 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 9.0 t -46.55 -45.43 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 4.6 t -76.05 -49.39 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 1.1 mt -39.46 -56.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 18.2 t-20 67.46 37.22 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.462 HG11 ' CB ' ' A' ' 22' ' ' ALA . 95.8 t -51.13 143.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.539 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 4.7 p -35.46 143.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 90.44 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.26 6.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.776 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -46.88 157.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.748 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -81.91 114.6 20.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.517 ' CG1' HD23 ' A' ' 38' ' ' LEU . 20.3 t -104.46 101.77 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.67 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -94.09 153.96 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 104' ' ' TYR . 19.4 m -156.22 108.4 2.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.588 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 133.99 17.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.616 ' HA ' ' O ' ' A' ' 48' ' ' ALA . 0.0 OUTLIER 24.07 49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' PRO . 12.1 t -84.01 -35.25 24.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 34.85 68.22 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.647 ' HZ2' ' ND2' ' A' ' 6' ' ' ASN . 10.4 mttt -117.26 177.77 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.58 -44.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 5' ' ' VAL . 40.3 mm-40 -73.62 -54.12 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -58.06 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -57.85 -62.09 2.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.401 ' H ' ' CG ' ' A' ' 35' ' ' MET . 51.2 m -44.4 -30.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 9.0 t90 -73.41 -45.72 52.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.517 HD23 ' CG1' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -59.06 -66.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -48.88 -48.56 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.39 -22.88 2.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -95.65 -35.65 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.49 68.9 0.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.412 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 16.4 m-85 -135.75 170.57 15.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.86 87.01 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 59.4 t -77.35 96.89 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -115.47 94.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.714 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -130.95 173.22 20.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.619 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -133.32 169.25 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.77 129.96 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.647 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -96.3 69.78 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.46 135.13 15.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -98.11 -46.52 5.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.65 97.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.49 -34.78 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.637 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.5 t -64.26 -52.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.83 -42.68 89.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -61.75 -38.27 87.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -65.41 -40.7 93.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.637 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 3.1 m-30 -69.06 -33.1 73.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -43.33 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 7.8 mtt85 -72.55 -35.42 68.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.19 40.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 76.64 148.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.9 -49.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.98 -176.74 3.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -99.18 113.64 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.638 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.582 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 4.6 mm -102.08 131.17 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.498 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -127.24 155.86 42.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -115.28 103.36 10.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.514 ' OE1' ' HA ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -91.21 84.86 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.77 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLN . 28.5 t0 -123.97 29.82 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 17.7 m-85 -137.98 172.59 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -126.04 152.62 45.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 41.0 t -135.47 102.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.0 t80 -104.94 101.06 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.489 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.06 138.19 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.48 157.59 38.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.07 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.01 -57.74 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.466 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -108.6 156.46 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.541 ' HB3' ' CG1' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -100.48 57.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.483 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -107.68 115.8 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.721 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -105.74 103.45 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.445 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 3.4 t -74.66 139.79 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 135.78 -96.36 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.636 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t70 -130.15 163.64 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.721 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -119.62 99.79 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.41 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.2 OUTLIER 172.62 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . 178.24 40.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.708 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -140.04 -3.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m 43.88 83.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.446 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . . . -58.17 -12.57 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.72 -50.34 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.6 -52.69 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.589 ' C ' ' CD1' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -67.96 -45.61 83.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.576 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -50.38 -77.71 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.663 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 55.67 -87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.682 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 38.6 t -144.61 141.41 29.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.776 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.58 -107.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.701 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -162.21 165.12 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.744 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -149.12 109.32 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.819 ' CE2' HD22 ' A' ' 9' ' ' LEU . 2.9 m-85 -100.29 163.06 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.471 ' HB2' ' CD1' ' A' ' 136' ' ' LEU . 0.0 OUTLIER -156.51 164.03 38.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.431 ' CZ ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.32 172.25 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.509 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -41.25 109.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.587 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -142.86 -59.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.491 ' HE3' ' CE ' ' A' ' 162' ' ' MET . 8.1 ptp -65.11 -25.08 67.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.587 ' CD1' ' N ' ' A' ' 108' ' ' ALA . 0.2 OUTLIER -60.83 -19.85 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.24 -63.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.557 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -56.08 164.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.06 -179.75 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -60.23 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 t0 -39.25 -54.37 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.606 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 39.7 tpp -60.86 -48.29 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.614 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 37.8 mtp180 -49.02 -48.71 43.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.477 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 12.0 mt-10 -63.94 -40.17 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.44 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 12.8 mmt85 -64.92 -28.8 69.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -78.28 -40.16 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.538 HG22 ' N ' ' A' ' 122' ' ' GLN . 1.4 m -67.33 -41.63 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.538 ' N ' HG22 ' A' ' 121' ' ' VAL . 20.4 pt20 -67.06 -49.46 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 64.8 m170 -58.18 -43.86 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -63.51 -54.59 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.647 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -56.65 -23.67 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.451 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . -72.89 -53.34 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.633 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -84.76 -3.6 58.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.67 ' CE ' ' CD2' ' A' ' 25' ' ' LEU . 2.6 mmt -64.01 175.35 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.666 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.9 OUTLIER -114.71 -39.46 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.672 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.39 93.16 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.519 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -152.71 148.56 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 p -95.46 112.73 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.709 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -92.25 151.55 20.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.75 ' CD1' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -143.36 104.71 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.471 ' CD1' ' HB2' ' A' ' 105' ' ' ASP . 2.6 tp -87.43 141.42 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.494 HD13 ' CG2' ' A' ' 195' ' ' VAL . 9.1 mm -120.7 106.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.512 HG21 ' CG2' ' A' ' 110' ' ' ILE . 64.0 p -118.16 174.97 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.528 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -142.71 172.56 12.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.1 tt0 -126.12 -78.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.569 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.5 m-85 -25.39 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.569 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.1 OUTLIER -26.74 143.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 8.5 pt20 169.97 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.513 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.38 46.19 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 179.3 -31.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.513 ' HG ' ' CB ' ' A' ' 186' ' ' ALA . 0.5 OUTLIER -89.34 155.21 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -53.3 106.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.97 150.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.72 3.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.457 ' HD2' ' O ' ' A' ' 142' ' ' ASP . 18.5 Cg_endo -74.95 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.518 ' O ' ' C ' ' A' ' 152' ' ' SER . 8.1 t80 -75.88 83.1 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.518 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.5 OUTLIER -28.64 104.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.522 HG21 ' CG2' ' A' ' 110' ' ' ILE . 2.1 t -78.33 123.56 85.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.475 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.2 Cg_endo -75.04 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.567 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 5.2 mp0 -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.402 ' O ' ' HB3' ' A' ' 160' ' ' ARG . 3.8 t -63.73 -38.48 91.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.614 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.1 t90 -61.58 -56.09 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 107.992 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 162' ' ' MET . 0.5 OUTLIER -48.28 -47.2 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 163' ' ' SER . 6.9 t-160 -69.09 -21.58 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.511 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -80.79 -24.98 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.511 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -113.4 -60.55 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.717 ' SD ' ' CE2' ' A' ' 166' ' ' TRP . 6.9 mtt -70.59 5.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -38.95 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.618 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . -87.83 109.66 3.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.618 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.9 m-20 146.79 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.749 ' CD1' ' N ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -146.61 130.89 17.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.5 mt-10 -73.95 84.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 168' ' ' VAL . 1.5 m -71.33 131.96 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.5 OUTLIER -131.92 148.7 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.451 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -76.23 137.22 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.604 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -163.12 170.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 108.84 -157.29 15.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -170.75 161.16 33.97 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.474 ' CB ' ' CG ' ' A' ' 192' ' ' ASP . 0.4 OUTLIER -101.89 160.98 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.68 14.26 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 176' ' ' THR . 14.0 t -110.49 74.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.529 HD11 ' CA ' ' A' ' 189' ' ' GLU . 1.5 tm? -84.5 -34.03 23.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -74.84 47.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.4 ' H ' ' C ' ' A' ' 177' ' ' LEU . 3.1 t -139.93 -42.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 163.5 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -91.89 -58.62 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.62 -30.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.416 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -66.81 -63.03 4.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.08 -15.33 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.69 -61.56 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.513 ' CB ' ' HG ' ' A' ' 146' ' ' LEU . . . -64.85 -34.82 79.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.46 66.39 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.553 ' CD1' ' CD2' ' A' ' 145' ' ' LEU . 2.5 mm? -86.81 -52.99 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.529 ' CA ' HD11 ' A' ' 177' ' ' LEU . 0.0 OUTLIER 75.59 -6.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 23.0 ptt180 175.2 122.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.469 ' HB2' ' HB2' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -175.87 155.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.474 ' CG ' ' CB ' ' A' ' 174' ' ' GLN . 24.1 t0 -80.28 125.86 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' GLY . 56.7 tt0 -109.16 121.6 45.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.435 ' O ' ' OG1' ' A' ' 138' ' ' THR . 53.8 m-70 -110.43 122.72 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.721 ' CG1' HD22 ' A' ' 135' ' ' LEU . 10.8 t -117.04 158.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 8.9 m-85 -146.84 133.21 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.662 HG21 ' CD1' ' A' ' 12' ' ' TYR . 11.0 t -104.09 109.53 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.667 ' N ' ' CD2' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.89 113.97 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.8 tt0 -78.8 96.66 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.636 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -61.86 104.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.636 ' N ' HH11 ' A' ' 200' ' ' ARG . 17.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' GLN . 22.0 t60 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -178.09 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -65.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 2.2 pt-20 -140.47 85.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.3 p -131.53 78.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.49 ' HA ' ' CB ' ' A' ' 179' ' ' SER . 1.8 m120 39.46 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -39.4 -45.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -62.16 -48.97 77.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.587 HD21 ' CE3' ' A' ' 13' ' ' TRP . 2.6 tm? -49.78 -65.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.7 pt20 -55.47 -33.81 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.34 -81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' LEU . 69.4 m-85 -44.22 -54.25 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.587 ' CE3' HD21 ' A' ' 9' ' ' LEU . 4.5 t-105 -48.68 -61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 20.0 m -45.33 -46.83 13.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -26.48 63.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -64.81 -46.42 82.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.74 49.39 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.458 HG12 HG21 ' A' ' 19' ' ' VAL . 47.5 t -59.39 145.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.489 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.03 149.68 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.81 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 108.18 -1.89 33.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.768 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.57 154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.722 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 33.4 mmt-85 -82.53 122.0 27.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.54 ' CG1' HD13 ' A' ' 38' ' ' LEU . 24.3 t -107.55 112.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.581 ' CD1' ' HD3' ' A' ' 27' ' ' PRO . 2.2 tm? -93.14 134.34 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.734 HG23 ' HA3' ' A' ' 47' ' ' GLY . 1.9 m -130.71 98.19 20.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.646 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.3 Cg_endo -75.03 110.85 3.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 38.07 30.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.73 -35.38 79.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.278 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 33.9 61.36 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -108.11 -157.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -157.36 -45.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 32' ' ' SER . 36.7 mm-40 -72.63 -39.2 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.77 -58.18 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 36' ' ' SER . 4.2 ppp? -60.76 -40.46 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.448 ' N ' ' SD ' ' A' ' 35' ' ' MET . 47.8 t -63.51 -35.78 81.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.403 ' CE3' HD21 ' A' ' 38' ' ' LEU . 70.4 t90 -67.94 -51.88 42.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.54 HD13 ' CG1' ' A' ' 24' ' ' VAL . 7.3 mt -57.69 -67.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -42.61 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.04 91.94 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 32.2 tp60 -79.39 -20.5 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.761 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.95 79.67 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -145.07 165.77 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.604 ' CG ' ' NH1' ' A' ' 23' ' ' ARG . 5.9 m-70 -91.07 81.2 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 ' CG2' ' HB2' ' A' ' 38' ' ' LEU . 93.3 t -75.68 109.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.495 ' CG2' ' HB3' ' A' ' 83' ' ' GLU . 1.4 p -136.33 110.32 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.734 ' HA3' HG23 ' A' ' 26' ' ' VAL . . . -149.71 -172.03 18.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.744 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -137.91 168.68 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.593 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.16 125.39 41.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.721 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 1.8 mm? -88.99 65.26 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.606 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 35.8 t -153.3 107.97 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HA ' HG12 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.41 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.19 -32.49 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.541 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -63.58 -49.7 72.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.65 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.8 OUTLIER -58.04 -37.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.553 ' N ' HG23 ' A' ' 55' ' ' VAL . 13.5 mt-10 -64.79 -48.73 73.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 4.6 tpt180 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.416 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 1.8 m-30 -74.85 -36.99 62.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 5.2 m-30 -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 3.8 mm-40 -71.13 -41.6 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -81.22 -36.24 30.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.14 38.63 14.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 13.5 mt-10 69.88 152.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 159.26 -47.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.97 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.43 113.58 26.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.7 mm -103.75 118.6 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.56 148.6 43.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 p -98.58 141.51 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -137.65 85.38 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.87 -99.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.08 35.12 3.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 30.2 m-85 -149.89 173.17 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.574 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.2 OUTLIER -133.67 163.77 28.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.6 m -142.61 112.48 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.694 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.23 104.58 13.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.98 130.4 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.19 156.1 35.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.44 -55.44 0.75 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.455 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -106.95 154.52 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.07 50.83 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.576 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -104.77 114.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.744 ' CD2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.11 105.39 15.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.415 ' SG ' HG11 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.85 140.86 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.593 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 131.15 -97.58 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 12.2 t70 -129.64 163.97 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.721 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -128.14 97.64 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 178.04 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -176.33 42.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.648 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -137.94 -34.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.509 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 2.5 m 78.4 79.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.504 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -56.73 -12.64 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 127' ' ' LEU . 10.4 ttt180 -76.42 -50.63 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.34 -48.6 72.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.631 ' CG2' ' CD2' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -66.46 -43.28 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.496 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -56.47 -76.05 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.725 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 2.1 m170 56.93 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.682 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 31.4 p -139.77 137.06 34.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.768 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.16 -109.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.572 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -171.53 -177.8 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.667 ' CE2' ' HA3' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -160.98 133.1 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.646 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 70.7 t80 -97.84 116.16 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.524 ' OD1' ' CZ ' ' A' ' 106' ' ' ARG . 2.4 t0 -94.74 146.77 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.577 ' HD2' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -106.16 172.67 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.557 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -78.07 87.68 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.502 ' HB1' ' NH1' ' A' ' 106' ' ' ARG . . . -121.09 -38.88 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.544 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -66.18 -27.45 68.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.557 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -73.21 -12.27 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.07 -23.14 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.564 HD21 ' CG ' ' A' ' 116' ' ' MET . 3.8 mp -95.33 166.02 15.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.99 -173.04 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -68.78 -67.66 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -39.61 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.564 ' CG ' HD21 ' A' ' 112' ' ' LEU . 13.8 tpp -52.16 -45.54 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.654 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 5.6 mtm180 -55.35 -39.28 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.44 ' CD ' HG23 ' A' ' 161' ' ' VAL . 1.1 mt-10 -65.43 -48.92 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -67.97 -19.3 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.433 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 0.6 OUTLIER -77.86 -56.76 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.499 ' HB ' ' CG ' ' A' ' 162' ' ' MET . 1.3 m -60.02 -39.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.529 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.3 pt20 -66.72 -48.13 70.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.0 m170 -54.0 -40.79 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -65.71 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.68 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 6.1 mm-40 -52.79 -18.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.56 -54.99 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.596 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -90.61 14.31 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.635 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.3 mmt -79.84 174.71 5.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.725 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.06 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 201' ' ' VAL . 7.6 pt20 -111.37 -37.67 5.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.613 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -143.96 94.46 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.559 ' HB2' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -149.09 149.81 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.548 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -92.95 109.75 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.667 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -89.27 149.27 20.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.56 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 6.6 tp -140.2 99.07 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.501 ' CD2' ' HB3' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -83.82 127.16 33.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.561 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 41.4 mm -112.81 106.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 28.1 p -118.08 178.22 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.506 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.57 172.21 14.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 141' ' ' TYR . 37.2 tt0 -132.25 -82.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.572 ' C ' ' O ' ' A' ' 140' ' ' GLU . 70.8 t80 -22.32 -73.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.524 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -31.15 146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 141' ' ' TYR . 11.5 pt20 174.6 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.435 ' N ' HD13 ' A' ' 145' ' ' LEU . . . -121.83 52.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.727 ' N ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -22.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.62 ' N ' HD11 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -96.27 127.15 42.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.464 ' N ' HD13 ' A' ' 146' ' ' LEU . 55.7 mm-40 -46.38 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.1 129.39 3.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.776 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.439 ' HG3' ' OD2' ' A' ' 142' ' ' ASP . 18.3 Cg_endo -75.03 130.39 13.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.38 8.01 12.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.3 p 48.76 55.3 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.8 p -40.63 121.05 1.74 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.513 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.0 121.42 6.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -40.26 -44.28 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.513 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -49.96 -43.22 50.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.677 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 44.6 t90 -63.15 -51.04 68.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.653 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -54.25 -33.1 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.677 ' O ' ' CB ' ' A' ' 163' ' ' SER . 4.9 t60 -84.62 -17.44 38.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.5 OUTLIER -82.31 -36.77 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.677 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.1 -60.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.653 ' CB ' ' O ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -56.89 6.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 42.1 t -100.65 107.63 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.564 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.96 59.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 8.6 m-20 151.65 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -145.91 128.85 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 107.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.0 OUTLIER -78.47 94.11 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.479 HG12 ' CD2' ' A' ' 198' ' ' LEU . 33.7 m -79.34 131.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.509 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -131.7 137.28 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.43 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.402 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 22.9 pttt -61.24 141.62 57.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.568 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -173.46 168.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 112.92 -165.75 12.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.545 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -149.05 176.59 27.75 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 26.4 pt20 -114.95 139.54 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . 0.421 ' HA ' ' N ' ' A' ' 191' ' ' MET . 0.8 OUTLIER 64.8 11.85 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.416 HG23 ' HA3' ' A' ' 173' ' ' GLY . 7.7 t -116.86 73.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.641 HD13 ' N ' ' A' ' 178' ' ' HIS . 0.2 OUTLIER -92.24 -11.42 35.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . 0.641 ' N ' HD13 ' A' ' 177' ' ' LEU . 70.4 m-70 -46.29 -27.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.49 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -71.13 -40.87 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -86.97 157.15 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -92.5 -42.24 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -42.18 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.493 ' HA2' ' CD1' ' A' ' 188' ' ' LEU . . . -66.93 -50.48 46.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -73.9 -14.57 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -41.02 28.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.483 ' CB ' HD11 ' A' ' 188' ' ' LEU . . . -87.49 -40.01 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.29 66.28 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 145' ' ' LEU . 0.2 OUTLIER -113.57 -31.52 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 6.9 pm0 38.9 39.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.6 ' H ' ' CD2' ' A' ' 177' ' ' LEU . 0.7 OUTLIER 153.38 112.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 177' ' ' LEU . 1.8 ptt? -175.48 145.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.462 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.9 m-20 -54.28 108.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 173' ' ' GLY . 27.2 tt0 -102.65 105.08 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 138' ' ' THR . 9.6 m-70 -91.95 149.32 21.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.513 ' CG2' ' CD1' ' A' ' 137' ' ' ILE . 46.4 t -147.46 146.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 169' ' ' THR . 8.0 m-85 -141.64 117.25 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.487 HG11 ' CG2' ' A' ' 169' ' ' THR . 2.4 p -83.76 112.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.619 ' CD2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -106.98 104.0 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.422 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.84 95.65 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -61.9 99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 130' ' ' GLN . 25.7 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 4' ' ' GLU . 2.6 mp0 -41.28 -65.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.84 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -140.55 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.493 ' O ' ' C ' ' A' ' 6' ' ' ASN . 2.4 p -131.74 143.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.496 ' ND2' ' OD2' ' A' ' 8' ' ' ASP . 1.2 t30 -32.54 116.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -57.83 -39.83 78.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.496 ' OD2' ' ND2' ' A' ' 6' ' ' ASN . 2.9 m-20 -64.31 -46.52 83.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.511 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 2.2 tm? -53.08 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.2 pt20 -56.43 -28.95 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 3.9 tp-100 -67.76 -81.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.727 ' O ' ' N ' ' A' ' 16' ' ' LEU . 55.4 m-85 -43.97 -54.55 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.695 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 2.3 t-105 -49.45 -55.34 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.9 m -48.41 -36.15 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 6.9 t -88.04 -53.84 4.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.727 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.4 mp -39.2 -42.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 47.18 36.17 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.2 p -47.28 153.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.481 ' C ' ' O ' ' A' ' 18' ' ' VAL . 5.3 m -34.45 144.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 106.64 -3.49 36.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.772 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.63 156.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.743 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 31.4 mmt-85 -81.87 123.85 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG1' HD13 ' A' ' 38' ' ' LEU . 47.6 t -106.38 114.83 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -103.95 139.95 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.642 HG21 ' O ' ' A' ' 26' ' ' VAL . 7.4 m -142.46 106.23 5.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.575 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.93 124.24 8.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.615 ' CB ' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 26.3 54.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -110.93 -35.33 5.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.2 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER 58.54 -151.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.263 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.421 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -163.74 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 12.4 mm-40 -73.72 -47.57 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t70 -52.24 -58.59 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.451 ' HG3' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -61.0 -62.48 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.451 ' H ' ' HG3' ' A' ' 35' ' ' MET . 30.4 t -43.68 -32.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.453 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 30.7 t90 -69.25 -53.5 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.485 HD13 ' CG1' ' A' ' 24' ' ' VAL . 4.8 mt -61.04 -66.78 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 -44.76 4.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.67 65.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LEU . 3.8 mm-40 -80.82 -30.81 35.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.64 59.4 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.44 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 9.0 m-85 -126.21 171.23 11.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.468 ' O ' HG13 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -82.65 80.59 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.91 103.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.511 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.2 p -135.39 143.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.763 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -179.79 -176.8 47.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.584 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -130.83 168.79 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -129.62 129.58 44.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.615 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -97.34 68.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.0 p -152.29 133.42 14.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.15 -47.59 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.41 97.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.22 -35.95 82.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.705 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 4.7 t -61.65 -54.41 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -42.55 84.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -40.86 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.705 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 2.6 m-30 -69.33 -34.97 75.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.78 -42.43 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.51 -46.11 87.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' CZ ' ' OH ' ' A' ' 77' ' ' TYR . 6.8 mtt-85 -75.85 -38.97 57.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.64 34.84 18.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 77.48 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 158.21 -48.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.0 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -107.56 112.03 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.536 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.608 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 7.4 mm -94.69 131.66 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.61 142.89 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -116.16 92.97 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.549 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 0.9 OUTLIER -96.64 98.74 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.9 -107.4 1.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -111.95 6.43 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.665 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 14.2 m-30 -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -107.89 158.31 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 31.4 t -139.82 101.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.6 t80 -103.84 101.43 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.69 139.01 38.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.37 157.48 42.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.4 -57.89 0.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.482 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -107.32 157.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.47 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -102.04 55.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.489 HD12 ' C ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -108.05 121.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.763 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -109.21 105.76 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.458 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 1.8 t -76.85 138.88 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.584 ' HA2' HG22 ' A' ' 55' ' ' VAL . . . 139.06 -97.45 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.665 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -134.66 163.67 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.611 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 2.2 t80 -118.4 106.73 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 161.86 48.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' HB3' ' NE2' ' A' ' 71' ' ' GLN . . . -141.96 -41.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.739 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.64 -175.62 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.482 ' N ' HD21 ' A' ' 92' ' ' LEU . 1.7 m -123.85 89.14 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.535 ' CB ' HD11 ' A' ' 127' ' ' LEU . . . -52.44 -16.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.16 -48.73 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.75 -45.48 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.562 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -69.24 -48.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -58.29 -75.89 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.661 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.6 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.64 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.676 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 37.3 t -143.83 137.07 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.772 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 148.28 -112.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.695 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -167.23 -178.27 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.722 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.1 p90 -162.62 142.84 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.544 ' CZ ' HG13 ' A' ' 137' ' ' ILE . 10.6 t80 -105.34 114.78 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.523 ' HB3' ' CD1' ' A' ' 136' ' ' LEU . 6.8 m-20 -93.14 130.33 38.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.533 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 0.5 OUTLIER -100.6 155.52 17.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.552 ' CB ' ' CD1' ' A' ' 139' ' ' LEU . . . -54.87 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.496 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -121.24 -55.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.728 ' HG3' ' CZ ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -65.42 -16.5 63.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.528 HD12 ' CB ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -71.03 -21.89 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -78.33 -49.02 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.571 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -66.69 169.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.571 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -74.99 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -75.57 -63.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -39.72 -59.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.686 ' O ' ' HG3' ' A' ' 119' ' ' ARG . 16.0 tpp -55.05 -46.94 75.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.755 ' CG ' ' CH2' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -55.04 -37.28 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 0.4 OUTLIER -65.71 -58.48 5.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -60.32 -17.57 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -79.15 -46.8 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 117' ' ' ARG . 1.4 m -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 13.3 pt20 -67.43 -50.23 60.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.535 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 24.6 m170 -58.15 -42.83 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -63.35 -61.24 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.645 ' HG2' ' CD2' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -54.89 -20.52 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -72.57 -56.49 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.625 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -82.84 -3.23 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.674 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.1 mmt -65.91 175.24 1.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.674 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.1 Cg_endo -74.99 -160.13 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 201' ' ' VAL . 29.0 tp60 -110.85 -44.52 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.598 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -137.62 94.19 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.523 ' HB3' ' HA ' ' A' ' 102' ' ' ALA . 32.3 m -150.99 149.88 30.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -97.75 111.12 23.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.722 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -92.07 157.13 24.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.566 HD23 ' C ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -140.0 102.67 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.523 ' CD1' ' HB3' ' A' ' 105' ' ' ASP . 4.3 tp -82.63 135.42 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.55 HD11 ' CG1' ' A' ' 195' ' ' VAL . 2.5 mm -125.05 110.76 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.518 ' CG2' HD23 ' A' ' 136' ' ' LEU . 29.1 p -119.45 168.91 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.552 ' CD1' ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -132.47 157.28 45.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.528 ' HG3' ' N ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -122.15 -34.32 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.58 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -69.84 -83.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.548 ' OD2' ' CD2' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -31.03 144.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.4 pt20 170.73 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.626 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.88 53.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.626 ' HB3' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER 174.56 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 147' ' ' GLU . 0.8 OUTLIER -97.17 131.34 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.477 ' N ' HD13 ' A' ' 146' ' ' LEU . 8.3 pt-20 -48.57 113.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.19 109.49 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -74.96 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.422 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 159.15 41.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 152' ' ' SER . 26.6 m-85 -117.97 22.0 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 152' ' ' SER . 0.6 OUTLIER 36.14 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.477 ' O ' ' OH ' ' A' ' 196' ' ' TYR . 3.4 t -74.3 122.35 87.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.4 Cg_endo -74.95 119.56 5.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 196' ' ' TYR . 6.2 tm0? -42.61 -36.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 t -56.33 -38.76 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.769 ' CH2' HG12 ' A' ' 161' ' ' VAL . 44.8 t90 -60.16 -52.65 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.539 HD23 ' CG ' ' A' ' 162' ' ' MET . 1.4 mt -53.68 -37.13 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 163' ' ' SER . 3.9 t60 -76.66 -20.41 56.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.563 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.651 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.27 -35.99 27.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.769 HG12 ' CH2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -113.32 -72.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.7 ' SD ' ' CE2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -39.29 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -48.89 115.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 110.3 75.71 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 15.2 m-20 145.71 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CE2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.84 137.59 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -92.54 94.26 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.472 HG12 ' CD2' ' A' ' 198' ' ' LEU . 29.5 m -76.77 132.53 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -124.24 124.13 41.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.435 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 124.39 14.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.683 ' CG2' ' H ' ' A' ' 172' ' ' GLY . 13.6 p -164.06 -172.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.683 ' H ' ' CG2' ' A' ' 171' ' ' VAL . . . 116.86 -156.1 15.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.41 138.65 5.96 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 176' ' ' THR . 33.5 mt-30 -102.35 158.6 16.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 t0 49.26 21.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.602 ' O ' ' CG2' ' A' ' 176' ' ' THR . 6.3 t -111.48 74.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.519 HD21 ' O ' ' A' ' 177' ' ' LEU . 0.7 OUTLIER -73.67 -36.53 65.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 55.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 177' ' ' LEU . 69.1 m -156.3 -43.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 9.1 t -84.72 109.3 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -48.78 -59.84 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 5.9 mmp_? -39.39 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' ALA . . . -66.56 -63.79 3.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.446 ' CD1' HD13 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -60.56 -14.6 20.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -45.15 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.466 ' CB ' HD11 ' A' ' 146' ' ' LEU . . . -82.92 -36.07 25.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.82 65.2 0.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.536 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 2.9 mm? -84.19 -52.61 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.461 ' CA ' HD11 ' A' ' 177' ' ' LEU . 0.0 OUTLIER 76.66 -1.55 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 167.12 116.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.58 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -164.86 150.75 10.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -91.28 126.93 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 138' ' ' THR . 20.5 tt0 -118.17 120.41 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.427 ' O ' ' OG1' ' A' ' 138' ' ' THR . 1.0 OUTLIER -103.35 122.7 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.567 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.67 ' O ' ' O ' ' A' ' 171' ' ' VAL . 0.7 OUTLIER -119.36 165.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 5.0 m-85 -152.35 132.3 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.604 HG23 ' CD2' ' A' ' 12' ' ' TYR . 2.7 t -85.25 107.87 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.5 HD21 ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -101.18 105.08 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.57 94.97 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -63.71 100.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.424 ' H ' ' CD2' ' A' ' 1' ' ' HIS . 5.5 p80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.9 mt-30 -133.5 -166.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER 86.46 -57.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.046 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.0 84.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.2 p -131.73 78.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.453 ' ND2' ' OG ' ' A' ' 179' ' ' SER . 0.6 OUTLIER 37.52 89.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -41.07 -39.48 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 54.7 m-20 -65.48 -56.06 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.569 HD21 ' CE3' ' A' ' 13' ' ' TRP . 2.3 tm? -45.39 -65.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -54.44 -34.37 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.07 -79.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.605 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.66 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 15.1 t -42.69 -36.25 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -81.51 -49.61 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -40.07 -44.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.482 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 25.3 t-20 67.81 44.18 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.43 HG13 ' HB3' ' A' ' 22' ' ' ALA . 45.9 t -52.79 134.39 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.91 147.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.14 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.14 -5.79 27.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.741 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -39.46 155.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.715 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 9.0 mmt85 -81.1 124.14 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.48 HG11 ' CD1' ' A' ' 38' ' ' LEU . 30.6 t -106.04 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.548 ' CD2' ' HB3' ' A' ' 94' ' ' ALA . 2.8 tm? -107.64 138.23 44.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.657 HG23 ' HA3' ' A' ' 47' ' ' GLY . 1.9 m -139.86 102.91 6.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.583 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 124.96 8.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.583 ' C ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.93 55.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.485 ' HB3' ' CG2' ' A' ' 26' ' ' VAL . 38.7 t -81.87 -35.38 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' HA2' ' CD ' ' A' ' 49' ' ' GLU . . . 76.18 24.32 69.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? 70.18 145.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -165.44 168.3 16.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.421 ' O ' HG23 ' A' ' 5' ' ' VAL . 32.2 mm-40 -53.05 -32.69 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' CG ' ' CD1' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -60.3 -58.12 9.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.403 ' HA ' ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.65 -46.9 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -32.56 74.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 46.3 t90 -65.53 -38.36 89.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' CD1' HG11 ' A' ' 24' ' ' VAL . 6.2 mt -65.32 -62.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.3 m -46.71 -38.59 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -29.76 69.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -80.49 -36.35 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.87 68.83 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -133.67 173.54 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.36 75.57 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 HG21 ' HB2' ' A' ' 38' ' ' LEU . 85.0 t -68.4 112.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' CB ' ' HB3' ' A' ' 83' ' ' GLU . 1.9 p -142.84 112.89 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.74 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -151.76 -172.01 20.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.668 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -142.65 162.11 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.26 137.66 54.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.717 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -94.81 66.57 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.674 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 38.8 t -152.16 139.77 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.476 ' HA ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -97.93 -64.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.238 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.83 -26.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -68.57 -45.86 70.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.745 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.14 -48.02 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 4.3 mt-10 -61.09 -47.28 87.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -61.06 -29.17 69.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.9 m-30 -72.07 -44.67 62.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.745 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 1.1 m-30 -65.04 -34.78 79.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -29.96 29.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.2 mm-40 -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -89.25 -32.87 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.78 40.34 96.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -118.03 -42.99 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 65.49 79.7 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.715 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -155.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -65.46 84.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.568 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.9 mm -87.95 127.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.465 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.87 151.63 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 m -108.32 107.48 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.55 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.17 -109.21 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.98 28.31 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 46.3 m-85 -142.62 173.44 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -124.73 169.01 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.524 ' CG1' ' HB2' ' A' ' 85' ' ' TRP . 97.3 t -142.74 97.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.728 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.0 t80 -95.84 100.75 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.524 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -110.04 120.8 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.02 155.16 47.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.85 -53.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.474 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -120.41 172.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.532 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -103.36 48.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.567 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -107.01 124.16 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.74 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -110.49 105.49 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.426 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 1.8 t -74.46 133.91 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.539 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 137.85 -101.18 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.579 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 13.8 p-10 -118.7 163.99 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.717 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -127.04 94.67 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.57 57.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.24 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.65 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -139.17 -34.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.523 ' N ' ' CD1' ' A' ' 92' ' ' LEU . 1.5 m 73.85 75.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.548 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -55.12 -12.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -75.41 -50.53 15.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -56.48 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -62.5 -36.67 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' ARG . . . -59.84 -78.75 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.622 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.7 t-160 62.72 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.603 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.688 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 31.9 p -143.89 143.76 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.741 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.02 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.605 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -169.47 179.53 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.7 p90 -160.38 139.5 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.58 ' CD1' ' CG ' ' A' ' 34' ' ' ASP . 9.9 t80 -97.9 118.37 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.491 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -97.65 127.05 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.94 8.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.568 ' CB ' ' CD1' ' A' ' 139' ' ' LEU . . . -72.99 87.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.72 -36.87 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.617 ' CA ' ' HD3' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -64.27 -35.34 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.483 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -69.96 -3.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -100.09 -40.05 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.669 HD21 ' CG ' ' A' ' 116' ' ' MET . 3.5 mp -86.47 164.26 38.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.536 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.3 Cg_endo -74.96 -158.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -80.17 -66.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 3.9 t70 -39.8 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.669 ' CG ' HD21 ' A' ' 112' ' ' LEU . 6.7 tpp -51.48 -37.33 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.865 ' CZ ' ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -58.0 -61.34 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' CG ' HG23 ' A' ' 161' ' ' VAL . 2.4 mt-10 -49.72 -39.52 37.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -71.91 -26.42 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 117' ' ' ARG . 45.4 t80 -77.78 -57.83 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.51 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 1.5 m -56.45 -43.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.541 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 8.4 pt20 -65.1 -48.76 72.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 31.6 m170 -57.55 -38.45 74.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.506 HD12 ' CE ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -67.74 -64.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.541 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -50.68 -20.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.71 -54.37 6.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.648 ' O ' ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -87.24 5.6 37.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.638 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.9 mmt -73.09 174.38 4.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 tt0 -105.04 -45.86 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.649 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.65 97.97 3.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.611 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 60.2 m -147.34 156.25 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.47 107.69 19.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.682 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -88.51 149.96 21.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.553 ' CD1' HG21 ' A' ' 197' ' ' VAL . 12.4 tp -139.74 102.88 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.501 ' CD2' ' SD ' ' A' ' 109' ' ' MET . 0.3 OUTLIER -83.78 142.52 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.56 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 5.1 mm -130.64 95.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.472 HG23 ' CG1' ' A' ' 153' ' ' VAL . 19.1 p -104.08 170.7 7.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.597 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -139.67 177.72 7.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -134.35 -81.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.579 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.9 m-85 -23.28 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.579 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -26.22 139.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.43 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.9 OUTLIER 175.0 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -118.58 47.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 177.98 -31.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.501 HD12 ' CB ' ' A' ' 186' ' ' ALA . 3.9 tp -89.64 130.08 35.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -40.8 110.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.65 131.61 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.39 5.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.479 ' HG2' ' O ' ' A' ' 142' ' ' ASP . 18.5 Cg_endo -74.98 138.97 23.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -94.34 18.91 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.6 p 38.07 52.84 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.472 ' CG1' HG23 ' A' ' 138' ' ' THR . 9.1 p -37.55 116.42 0.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.567 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.6 Cg_endo -74.91 112.85 3.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -33.33 -44.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.517 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 5.0 t -44.48 -39.73 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.753 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 66.9 t90 -65.81 -42.18 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.58 ' O ' ' CB ' ' A' ' 162' ' ' MET . 7.0 mp -57.04 -41.58 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.539 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.5 t-80 -79.47 -18.5 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -78.67 -37.96 40.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.74 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.76 -70.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.651 ' HG2' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -37.92 -29.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 5.8 t -53.78 98.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.13 -58.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.612 ' O ' HG21 ' A' ' 201' ' ' VAL . 26.1 m-80 -134.07 -48.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.651 ' CZ2' ' HG2' ' A' ' 162' ' ' MET . 0.1 OUTLIER -77.45 97.98 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -63.06 95.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 166' ' ' TRP . 3.2 m -70.26 126.66 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.431 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -123.34 154.09 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.408 ' O ' HG23 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -72.26 136.57 46.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.537 ' O ' ' O ' ' A' ' 195' ' ' VAL . 38.5 t -155.48 159.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.403 ' N ' ' CG1' ' A' ' 171' ' ' VAL . . . 51.09 -150.27 6.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 140.09 -77.92 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 176' ' ' THR . 0.0 OUTLIER -36.24 147.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 5.2 p-10 -67.12 71.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.488 ' OG1' ' CD2' ' A' ' 178' ' ' HIS . 3.1 t -89.33 73.62 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -55.46 -39.8 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . 0.488 ' CD2' ' OG1' ' A' ' 176' ' ' THR . 3.6 p-80 -53.83 -21.87 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.453 ' OG ' ' ND2' ' A' ' 6' ' ' ASN . 8.5 t -69.74 -68.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 85.6 p -81.95 136.65 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -71.65 -29.11 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.518 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -64.9 -61.55 5.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.477 HD23 ' CD1' ' A' ' 177' ' ' LEU . 1.3 mm? -68.76 -18.46 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.501 ' CB ' HD12 ' A' ' 146' ' ' LEU . . . -81.5 -29.46 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.04 74.34 1.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.575 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 3.6 mm? -88.96 -52.88 4.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.753 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 80.27 -4.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 2.4 mtt180 159.56 106.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.509 ' O ' ' HA ' ' A' ' 175' ' ' ASP . 0.0 OUTLIER -148.37 141.2 24.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.546 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.9 OUTLIER -58.59 132.72 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.455 ' HB2' ' CE ' ' A' ' 191' ' ' MET . 49.1 tt0 -129.71 116.01 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.414 ' O ' ' OG1' ' A' ' 138' ' ' THR . 58.8 m80 -107.23 123.13 47.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.665 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 32.2 t -113.15 161.67 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.665 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 19.8 m-85 -151.68 146.7 25.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.553 HG21 ' CD1' ' A' ' 135' ' ' LEU . 14.0 t -106.34 105.07 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.678 ' N ' ' CD2' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.05 99.61 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.11 95.04 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.611 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -63.55 87.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.612 HG21 ' O ' ' A' ' 165' ' ' ASN . 29.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 4' ' ' GLU . 8.6 mp0 -40.49 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m 65.04 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -140.54 86.89 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.544 ' O ' ' O ' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -131.94 78.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 36.58 96.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' CE ' ' HA3' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -46.84 -35.29 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' CG ' HG22 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -65.41 -48.43 72.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.563 HD21 ' CE3' ' A' ' 13' ' ' TRP . 3.1 tm? -55.4 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -55.6 -28.28 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.6 tt0 -67.49 -80.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 16' ' ' LEU . 51.3 m-85 -44.07 -54.89 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.615 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -49.7 -52.64 29.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.6 m -50.68 -36.74 37.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -88.34 -62.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.7 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.7 mt -34.89 -52.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 45.8 t-20 65.15 39.51 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 19' ' ' VAL . 80.3 t -41.43 142.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.485 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -39.97 149.47 0.28 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 110.96 -10.02 29.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.761 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -38.03 156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.72 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 12.1 tpp180 -80.94 117.76 21.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.515 ' CG1' HD13 ' A' ' 38' ' ' LEU . 21.5 t -104.99 102.01 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 103' ' ' PHE . 1.9 tm? -87.03 135.18 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.579 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 32.3 m -140.35 103.3 6.61 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.708 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 139.36 24.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.708 HD23 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 17.36 56.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -82.76 -35.1 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 80.94 24.94 57.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' GLY . 19.4 ttmt 49.1 97.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' A' ' 181' ' ' ALA . 0.5 OUTLIER -117.24 -176.43 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.944 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.428 ' O ' HG23 ' A' ' 5' ' ' VAL . 84.5 mm-40 -52.16 -29.86 24.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CG ' ' CD2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -63.86 -58.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.508 ' CE ' HG13 ' A' ' 84' ' ' ILE . 0.2 OUTLIER -53.34 -39.7 64.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -71.31 -31.02 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.445 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 17.1 t90 -72.79 -35.07 67.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.515 HD13 ' CG1' ' A' ' 24' ' ' VAL . 12.0 mt -72.04 -57.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.5 t -53.26 -39.88 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.58 91.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 1.3 mm-40 -70.06 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.83 54.24 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.419 1.074 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -117.72 173.97 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 21' ' ' GLY . 16.5 m170 -93.88 78.72 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.436 ' CG1' HD12 ' A' ' 82' ' ' ILE . 95.2 t -73.43 119.0 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -142.93 102.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.717 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -137.16 -172.67 12.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.537 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -134.24 168.76 18.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.53 ' CB ' ' HA ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -128.41 129.64 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.89 71.74 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.427 ' OG ' ' OE1' ' A' ' 49' ' ' GLU . 17.3 m -152.14 134.32 15.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 56' ' ' GLU . 1.8 mp0 -97.07 -43.22 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.61 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -59.45 -34.94 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.62 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.2 t -65.27 -49.8 76.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -60.21 -44.6 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -58.24 -41.56 84.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -62.61 -43.34 99.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.62 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 3.7 m-30 -74.93 -18.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.444 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -81.96 -37.92 25.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 -41.98 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -82.41 -32.4 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 66.92 45.09 86.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.1 mt-10 77.55 144.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.617 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER 156.38 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.98 171.84 17.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 95.75 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.539 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 24.3 mm -97.75 119.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.456 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -126.25 143.33 51.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m -84.96 141.76 30.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -143.51 85.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.99 -112.01 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t0 -100.51 37.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 0.723 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CG ' ' HB2' ' A' ' 88' ' ' ASP . 67.8 m-85 -159.0 173.4 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.653 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 ttmt -128.5 169.79 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.567 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.1 m -142.99 110.38 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.713 ' CD2' ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -104.75 101.37 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.35 160.95 14.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.09 157.81 72.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.13 9.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.12 -49.05 6.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.436 HD12 ' CG1' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -122.22 158.41 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -100.23 53.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.549 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -106.69 111.03 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.717 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -98.9 100.58 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.976 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.53 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 9.1 t -71.56 141.88 50.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.4 -99.25 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.561 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 2.8 t70 -128.2 163.62 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.716 ' HA ' ' CZ3' ' A' ' 85' ' ' TRP . 9.7 t80 -121.6 108.63 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 160.31 47.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -138.1 -44.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.734 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.41 -178.71 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.505 ' O ' ' CG2' ' A' ' 97' ' ' ILE . 3.9 m -126.38 80.17 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.547 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -44.35 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.1 ttt180 -76.78 -55.39 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.73 -52.18 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.512 ' O ' ' NE ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -64.86 -50.73 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -52.18 -78.65 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.58 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.1 t-160 71.17 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.774 . . . . 0.0 109.568 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.728 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 56.8 m -145.01 143.16 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.761 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 147.6 -108.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.615 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -165.65 176.84 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.629 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -152.73 120.6 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.615 ' CZ ' HG13 ' A' ' 137' ' ' ILE . 72.2 t80 -100.49 132.92 45.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 4.7 t0 -126.1 155.97 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.6 172.11 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 137' ' ' ILE . . . -50.92 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.43 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -134.44 -66.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.519 ' HA ' ' CG ' ' A' ' 112' ' ' LEU . 0.4 OUTLIER -55.58 -24.94 35.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.492 ' CG2' HG21 ' A' ' 138' ' ' THR . 2.8 pp -59.76 -28.79 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.7 -55.94 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.612 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -63.62 166.34 9.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.601 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 178.11 7.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -57.67 -65.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -38.88 -53.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.612 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 37.2 tpp -61.93 -42.62 99.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.65 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -55.72 -42.79 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.574 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 3.8 mt-10 -65.76 -45.0 84.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 1.0 OUTLIER -65.76 -26.11 67.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.463 ' CE1' ' HE2' ' A' ' 109' ' ' MET . 12.8 t80 -74.73 -53.42 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 122' ' ' GLN . 1.8 m -60.07 -47.71 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.52 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 2.5 pt20 -59.61 -47.41 85.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 20.2 m170 -57.14 -37.61 72.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.634 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.577 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -67.79 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.52 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -52.67 -18.22 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.32 -59.86 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.613 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -88.81 19.22 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.726 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 1.5 mmt -84.09 177.04 3.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.726 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.2 Cg_endo -75.04 -162.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 201' ' ' VAL . 1.0 OUTLIER -108.92 -47.48 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.728 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -131.88 98.23 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.536 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -155.73 154.25 31.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 108.273 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.9 p -102.87 110.93 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -90.95 152.84 21.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.55 HD12 ' HA ' ' A' ' 197' ' ' VAL . 15.4 tp -141.53 98.62 3.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.88 133.32 35.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.615 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 6.2 mm -121.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.492 HG21 ' CG2' ' A' ' 110' ' ' ILE . 3.1 p -104.19 158.65 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.485 HD11 ' CD2' ' A' ' 146' ' ' LEU . 0.3 OUTLIER -89.55 176.7 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 mm-40 -137.08 -111.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' A' ' 140' ' ' GLU . 13.0 t80 -25.25 -62.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.583 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -29.26 144.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.489 ' HA ' ' CD ' ' A' ' 150' ' ' PRO . 7.2 pt20 -179.57 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.456 ' N ' HD13 ' A' ' 145' ' ' LEU . . . -122.77 61.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.726 ' N ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 171.65 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.623 ' N ' HD11 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -83.01 128.25 34.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.505 ' N ' HD13 ' A' ' 146' ' ' LEU . 18.4 mt-10 -43.87 102.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.479 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.29 148.17 22.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.489 ' CD ' ' HA ' ' A' ' 143' ' ' GLN . 18.5 Cg_endo -74.93 160.29 40.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 6.8 m-85 -115.04 14.16 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 151' ' ' PHE . 99.9 p 35.36 48.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 152' ' ' SER . 6.6 p -37.03 111.49 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.417 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.1 Cg_endo -75.01 133.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -46.02 -47.42 16.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.417 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.3 OUTLIER -48.05 -43.66 30.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.656 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 45.8 t90 -62.29 -46.41 88.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.639 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -56.63 -40.19 74.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.618 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.4 OUTLIER -77.78 -17.36 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.748 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.84 -38.02 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.748 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.13 -58.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.702 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.74 6.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.671 ' H ' ' C ' ' A' ' 161' ' ' VAL . 32.3 t -103.7 101.24 11.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 155.36 54.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.583 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 4.8 m-20 149.75 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.702 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.76 130.16 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.007 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.3 OUTLIER -86.46 92.7 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.612 ' CG2' ' HB3' ' A' ' 198' ' ' LEU . 51.0 t -79.21 135.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.554 ' CG2' HG13 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.95 134.34 50.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 127.28 28.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.673 ' O ' ' O ' ' A' ' 195' ' ' VAL . 11.9 p -164.09 -173.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.603 ' H ' ' CG2' ' A' ' 171' ' ' VAL . . . 111.9 -150.04 18.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.504 ' HA3' ' CE ' ' A' ' 7' ' ' LYS . . . -163.1 138.75 5.5 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 176' ' ' THR . 0.8 OUTLIER -97.65 162.78 13.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 46.56 24.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.527 ' O ' ' CG2' ' A' ' 176' ' ' THR . 14.5 t -104.35 74.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.544 ' HG ' ' N ' ' A' ' 190' ' ' ARG . 2.2 tm? -61.59 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.93 -42.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.447 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.0 t -90.59 108.57 19.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' A' ' 32' ' ' SER . . . -45.5 -54.22 7.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -46.2 -26.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 188' ' ' LEU . . . -58.99 -48.08 87.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.95 -20.31 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.803 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.75 53.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 146' ' ' LEU . . . -107.84 -40.24 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.74 1.24 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.583 ' CD2' ' HB3' ' A' ' 142' ' ' ASP . 1.1 mp -105.2 -16.54 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.514 ' CA ' ' HG ' ' A' ' 177' ' ' LEU . 13.5 pm0 36.36 31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.544 ' N ' ' HG ' ' A' ' 177' ' ' LEU . 0.3 OUTLIER 157.26 105.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.54 ' SD ' ' CD2' ' A' ' 177' ' ' LEU . 2.5 ptt? -167.29 154.0 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 23.3 t0 -93.65 139.76 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 36.8 tt0 -125.21 118.3 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.514 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -102.03 123.19 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.673 ' O ' ' O ' ' A' ' 171' ' ' VAL . 0.7 OUTLIER -122.48 165.91 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.628 ' CD2' HD21 ' A' ' 158' ' ' LEU . 0.7 OUTLIER -148.54 144.21 27.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 12' ' ' TYR . 2.8 p -101.69 107.25 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.686 ' N ' ' CD2' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -95.91 133.53 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -96.68 91.61 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -61.01 95.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.4 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.2 m80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -117.94 -78.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.57 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.95 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.522 ' HB2' ' CD2' ' A' ' 178' ' ' HIS . 0.0 OUTLIER -140.57 84.51 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.5 p -131.72 139.13 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -33.24 99.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.11 -30.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' A' ' 12' ' ' TYR . 2.3 m-20 -69.03 -61.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' TRP . 1.3 tm? -45.28 -58.87 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' SER . 10.3 pt20 -57.83 -39.7 78.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 49.5 tt0 -69.76 -76.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.638 ' CE2' HG21 ' A' ' 171' ' ' VAL . 55.2 m-85 -43.82 -54.42 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.654 ' CZ2' HD12 ' A' ' 38' ' ' LEU . 6.6 t-105 -53.63 -50.99 64.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.4 t -53.25 -28.95 30.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 t -86.23 -44.05 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.053 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 133' ' ' SER . 2.2 mt -54.37 -33.6 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LEU . 51.1 t30 39.4 39.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 19' ' ' VAL . 10.6 p -47.5 155.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.516 ' C ' ' O ' ' A' ' 18' ' ' VAL . 10.8 m -31.63 144.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.99 4.18 56.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.774 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -44.94 159.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.825 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 12.2 mmt85 -81.18 116.98 21.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' A' ' 102' ' ' ALA . 91.3 t -103.28 111.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 ' HG ' ' N ' ' A' ' 26' ' ' VAL . 0.3 OUTLIER -84.24 152.71 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.554 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 2.1 t -139.16 89.79 12.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.04 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.545 ' HG ' ' C ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 41.73 27.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 104' ' ' TYR . 90.6 m -100.63 -15.99 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 57.61 -114.23 5.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 18.4 mttt -111.01 -94.55 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.496 ' HB3' ' CB ' ' A' ' 181' ' ' ALA . 17.4 m 74.71 167.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -36.11 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.86 -58.02 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.473 ' HG2' ' CG1' ' A' ' 45' ' ' VAL . 2.1 tmt? -53.47 -53.47 51.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 m -56.97 -29.27 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.426 ' CE3' HD11 ' A' ' 38' ' ' LEU . 10.2 t90 -73.67 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.654 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 0.3 OUTLIER -66.5 -66.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -46.85 56.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.18 -17.3 16.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -96.04 -38.33 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.97 59.99 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -129.61 164.32 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 83.32 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' CG1' ' HG2' ' A' ' 35' ' ' MET . 97.7 t -72.38 117.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -145.91 144.09 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.718 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 174.37 -177.35 46.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HB1' ' CZ2' ' A' ' 85' ' ' TRP . . . -123.97 157.76 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.91 97.56 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.679 HD23 ' N ' ' A' ' 89' ' ' PHE . 1.5 mm? -69.43 75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.464 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -152.09 133.25 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -98.1 -53.45 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -34.99 78.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -70.31 -35.82 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -62.04 -51.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.48 -43.34 97.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -37.12 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.403 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 1.7 m-30 -64.15 -44.03 93.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.604 ' CZ ' HG22 ' A' ' 68' ' ' ILE . 7.0 m-30 -71.21 -28.72 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -37.54 47.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.98 -45.27 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 29.8 mtt85 -77.58 -33.35 53.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.92 38.69 48.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 2.1 mt-10 74.21 146.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.9 OUTLIER 162.54 -48.77 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.91 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 110.77 23.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.604 HG22 ' CZ ' ' A' ' 59' ' ' PHE . 7.2 mm -106.6 123.16 61.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.525 ' CG2' ' OE1' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -124.47 151.0 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.8 m -107.49 101.43 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.534 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -89.56 85.42 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.62 -90.86 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.31 -13.89 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.2 m-85 -98.4 173.03 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.546 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.3 tttt -127.65 158.44 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.518 ' CG1' HG21 ' A' ' 69' ' ' THR . 0.1 OUTLIER -142.28 107.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.03 102.91 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -95.51 142.87 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.36 155.93 49.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.34 3.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.09 -55.19 0.77 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.473 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -110.84 161.59 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . 0.0 OUTLIER -104.04 52.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.483 HD12 ' C ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER -104.65 122.69 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.718 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -111.33 105.61 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.465 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 3.7 t -71.28 137.83 48.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 139.83 -105.22 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -133.11 164.22 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.679 ' N ' HD23 ' A' ' 50' ' ' LEU . 1.9 t80 -114.53 102.58 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.817 ' CZ ' ' CE1' ' A' ' 123' ' ' HIS . 0.2 OUTLIER 169.3 56.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -154.68 -45.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.675 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.01 176.9 7.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.518 ' N ' HD21 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -111.48 86.8 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.612 ' HB2' ' CE ' ' A' ' 128' ' ' MET . . . -51.18 -21.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.498 ' HG3' ' CG2' ' A' ' 93' ' ' THR . 5.7 ptm180 -81.2 -38.4 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.5 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 36.8 t0 -71.85 -36.48 70.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 1.7 pt -79.62 -53.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.575 ' HA3' ' HG3' ' A' ' 129' ' ' PRO . . . -54.62 -61.8 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.599 ' N ' ' HG3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 43.59 -90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.617 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.871 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 1.4 p -130.01 128.31 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.825 ' HB2' ' N ' ' A' ' 23' ' ' ARG . . . 153.8 -111.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.63 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -173.38 -171.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.794 ' CE1' ' CA ' ' A' ' 134' ' ' GLY . 8.1 p90 -167.33 144.59 4.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.644 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 74.9 t80 -100.01 114.99 28.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.426 ' HB3' HD12 ' A' ' 136' ' ' LEU . 6.4 t0 -101.56 134.45 44.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.465 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 ttm180 -101.31 172.01 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.506 ' CB ' ' HA ' ' A' ' 138' ' ' THR . . . -70.79 93.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.441 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -118.48 -37.31 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.553 ' O ' ' CD ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -66.08 -28.65 68.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.482 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -71.45 -11.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.438 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -94.29 -51.37 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.584 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -76.1 167.18 38.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.99 160.51 40.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -46.96 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.5 m-20 -39.12 -52.59 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.581 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 28.5 tpp -60.33 -43.27 96.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.581 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 14.0 mtt180 -56.25 -48.62 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 1.9 mt-10 -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -69.35 -22.08 63.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -79.59 -50.04 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.444 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 1.5 m -63.77 -38.39 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -69.31 -50.19 48.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.817 ' CE1' ' CZ ' ' A' ' 90' ' ' PHE . 36.4 t60 -58.26 -42.8 87.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.637 ' O ' ' HG2' ' A' ' 128' ' ' MET . 0.9 OUTLIER -59.47 -65.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -54.23 -20.39 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.456 ' N ' ' OE1' ' A' ' 125' ' ' GLU . . . -68.83 -56.68 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.569 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -84.01 13.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.887 ' SD ' ' CZ ' ' A' ' 200' ' ' ARG . 8.2 mmt -85.81 159.72 54.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.599 ' HG3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.02 -95.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.605 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -178.35 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.871 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -119.67 104.27 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.697 ' O ' ' CB ' ' A' ' 200' ' ' ARG . 1.2 m -173.15 129.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.558 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -83.89 107.39 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.794 ' CA ' ' CE1' ' A' ' 103' ' ' PHE . . . -86.26 134.69 12.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.59 ' CD1' ' CD1' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -130.21 98.52 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.508 ' O ' ' CD1' ' A' ' 137' ' ' ILE . 1.6 tp -83.16 143.47 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.612 HG13 ' CE1' ' A' ' 104' ' ' TYR . 5.9 mm -131.89 92.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.506 ' HA ' ' CB ' ' A' ' 107' ' ' ALA . 6.7 p -97.84 -178.89 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.46 ' CB ' ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -146.05 165.09 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.6 OUTLIER -127.9 -79.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.539 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.4 OUTLIER -25.75 -66.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.546 ' HB3' ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.41 142.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.8 OUTLIER 174.06 -32.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.62 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.44 52.41 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.62 ' HB3' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER 174.78 -29.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -88.27 115.82 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.524 ' N ' HD13 ' A' ' 146' ' ' LEU . 41.6 mm-40 -39.42 102.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.2 133.14 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 148' ' ' GLY . 18.2 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -83.63 18.17 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 153' ' ' VAL . 10.2 p 35.82 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.97 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 152' ' ' SER . 9.8 p -34.51 121.95 0.55 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.514 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.2 Cg_endo -74.95 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -40.31 -42.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.453 HG21 ' N ' ' A' ' 157' ' ' TRP . 9.0 t -52.67 -35.0 54.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.581 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 84.4 t90 -62.45 -58.73 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.9 mt -49.39 -40.21 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.564 ' O ' ' CB ' ' A' ' 163' ' ' SER . 53.0 t-80 -72.29 -23.14 61.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -81.93 -33.99 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.542 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.23 -72.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.618 ' O ' ' NE1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -38.46 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 10.9 t -53.86 88.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 162.9 105.34 0.19 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.653 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 10.1 t-20 96.23 -19.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.618 ' NE1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.32 130.99 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 107.974 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.0 mt-10 -92.0 91.79 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.684 ' CG2' ' CZ ' ' A' ' 196' ' ' TYR . 2.5 m -68.18 133.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.578 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -125.79 113.22 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 140.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.725 HG22 ' N ' ' A' ' 172' ' ' GLY . 0.3 OUTLIER -172.3 171.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.725 ' N ' HG22 ' A' ' 171' ' ' VAL . . . 114.18 -167.82 12.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -167.34 -173.28 35.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 0.6 OUTLIER -113.7 154.5 27.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 70.95 17.17 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.491 ' CG2' ' HB3' ' A' ' 193' ' ' GLU . 2.4 t -116.86 74.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.582 ' CD1' ' H ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER -82.13 -35.73 28.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . 0.669 ' CD2' ' CD2' ' A' ' 184' ' ' LEU . 0.1 OUTLIER -49.88 -46.06 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 178' ' ' HIS . 4.5 m -31.72 -56.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.452 ' N ' ' OE2' ' A' ' 193' ' ' GLU . 32.8 t -85.21 151.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.496 ' CB ' ' HB3' ' A' ' 32' ' ' SER . . . -85.03 -60.47 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 106' ' ' ARG . 0.6 OUTLIER -39.41 -36.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.689 ' HA2' HD22 ' A' ' 188' ' ' LEU . . . -58.1 -56.28 26.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.669 ' CD2' ' CD2' ' A' ' 178' ' ' HIS . 3.3 mt -57.75 -32.06 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.8 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -70.64 -31.11 67.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.519 ' CB ' HD11 ' A' ' 146' ' ' LEU . . . -87.02 -39.17 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 101.3 66.25 0.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.693 ' HB3' ' HG3' ' A' ' 191' ' ' MET . 3.7 mm? -92.24 -16.06 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 188' ' ' LEU . 6.0 pt-20 29.83 70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.582 ' H ' ' CD1' ' A' ' 177' ' ' LEU . 0.0 OUTLIER 70.71 99.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.693 ' HG3' ' HB3' ' A' ' 188' ' ' LEU . 4.1 mmt -147.95 155.49 41.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 t0 -48.88 114.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.491 ' HB3' ' CG2' ' A' ' 176' ' ' THR . 1.0 OUTLIER -121.66 121.6 37.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.514 ' O ' HG22 ' A' ' 195' ' ' VAL . 27.7 m170 -93.1 150.44 20.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.633 ' O ' ' O ' ' A' ' 171' ' ' VAL . 75.4 t -141.18 151.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.684 ' CZ ' ' CG2' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -146.32 125.2 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.59 ' CG2' HG11 ' A' ' 171' ' ' VAL . 51.9 t -97.21 93.3 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 168' ' ' VAL . 0.2 OUTLIER -96.51 109.63 22.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.21 98.93 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.887 ' CZ ' ' SD ' ' A' ' 128' ' ' MET . 11.2 ttm180 -62.97 98.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.8 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -174.55 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -54.55 -59.78 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -137.89 84.9 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.583 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.0 OUTLIER -131.64 78.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.583 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 32.05 97.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.95 -34.74 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.462 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -67.42 -51.61 49.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.583 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 1.7 tm? -49.99 -64.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.0 pt20 -57.57 -34.49 69.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.4 tt0 -68.81 -79.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.492 ' CE2' HG21 ' A' ' 171' ' ' VAL . 48.6 m-85 -43.81 -54.6 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.645 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 4.1 t-105 -51.05 -55.33 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -45.83 -40.06 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -79.23 -49.66 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 0.3 OUTLIER -39.25 -51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.463 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.0 t-20 67.31 39.55 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 19' ' ' VAL . 75.2 t -50.79 142.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.503 HG21 ' CB ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.75 150.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.73 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 107.86 -6.22 35.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.73 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -36.67 155.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.762 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 21.1 mmt-85 -81.41 114.6 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.544 ' CG1' HD13 ' A' ' 38' ' ' LEU . 12.0 t -105.76 108.77 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.597 ' HG ' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -99.55 154.01 18.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.597 ' N ' ' HG ' ' A' ' 25' ' ' LEU . 31.4 m -151.86 103.22 2.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.56 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.4 Cg_endo -74.97 128.09 11.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.709 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 35.58 35.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 23.2 t -127.12 33.08 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -32.4 -41.68 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' GLY . 3.3 tttp 41.38 -163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' MET . 0.3 OUTLIER -152.59 -44.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -73.18 -38.66 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.7 t70 -62.52 -58.35 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 32' ' ' SER . 0.8 OUTLIER -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 m -67.62 -36.02 80.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 44.4 t90 -68.25 -48.38 65.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.544 HD13 ' CG1' ' A' ' 24' ' ' VAL . 8.2 mt -59.73 -63.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -43.73 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.96 -28.86 71.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 38' ' ' LEU . 2.1 tp60 -83.06 -30.0 28.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 102.4 71.3 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.429 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 13.0 m-85 -142.52 170.44 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 111.046 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.1 97.68 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 83' ' ' GLU . 21.3 t -88.32 99.5 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.532 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 1.4 p -136.12 106.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -136.29 -177.48 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.656 ' CB ' ' CE2' ' A' ' 85' ' ' TRP . . . -135.39 156.73 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -120.61 130.78 54.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.648 HD23 ' CB ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -102.7 67.8 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.563 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 44.0 m -153.5 95.49 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -58.39 -59.23 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.53 -38.68 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.502 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -59.1 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.617 HG21 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -57.09 -34.35 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.563 ' N ' HG23 ' A' ' 55' ' ' VAL . 24.4 mt-10 -64.14 -45.79 86.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.419 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 2.8 m-30 -73.03 -37.47 66.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.617 ' CE2' HG21 ' A' ' 55' ' ' VAL . 6.1 m-30 -76.04 -29.35 58.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.73 -35.46 33.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.86 -41.69 61.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 16.2 mtt85 -82.53 -34.93 27.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.84 37.26 26.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.7 mt-10 73.52 150.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.1 mt-30 161.97 -48.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.75 112.49 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.492 ' CG2' ' HE2' ' A' ' 75' ' ' LYS . 37.9 mm -107.19 121.14 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.407 HG21 HG11 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -123.82 147.42 47.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -104.73 104.47 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.453 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -92.23 85.61 5.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.61 -91.29 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.74 -6.7 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 21.4 m-85 -104.03 173.35 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.549 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.6 tttt -128.24 160.17 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.562 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.8 m -142.87 109.2 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.699 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -107.68 101.02 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.83 143.89 29.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.07 155.26 43.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 4.72 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.41 -47.0 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.46 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -132.99 172.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.235 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.487 ' CB ' ' HB ' ' A' ' 46' ' ' VAL . 0.7 OUTLIER -100.94 51.49 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.521 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -106.4 114.04 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.927 ' CZ2' ' HB3' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -101.26 102.31 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.414 ' SG ' HG11 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -70.54 140.01 51.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.644 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 137.27 -99.01 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -138.24 163.39 31.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 0.799 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.79 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 1.3 t80 -109.55 106.52 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.423 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 0.1 OUTLIER 178.0 45.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.453 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . 176.87 59.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.927 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -143.73 -32.04 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.563 ' C ' HD21 ' A' ' 92' ' ' LEU . 0.2 OUTLIER 65.29 74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.687 ' O ' ' HA3' ' A' ' 98' ' ' GLY . . . -55.96 -12.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.55 ' N ' ' O ' ' A' ' 127' ' ' LEU . 16.1 ptt180 -79.84 -49.44 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.227 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 5.9 t0 -69.47 -51.13 38.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.651 ' CG2' ' CD2' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -71.65 -34.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.687 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -65.73 -76.31 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.787 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.02 -84.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.571 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.754 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 32.1 p -143.33 141.37 30.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.762 ' HB2' ' N ' ' A' ' 23' ' ' ARG . . . 148.12 -106.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.645 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -171.41 172.23 5.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.695 ' CE2' ' HA3' ' A' ' 134' ' ' GLY . 2.1 p90 -155.89 117.54 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.624 ' CZ ' ' CD1' ' A' ' 137' ' ' ILE . 3.7 t80 -91.18 144.28 25.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' OD1' ' CG ' ' A' ' 27' ' ' PRO . 3.0 m-20 -128.11 140.31 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -104.82 172.25 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' A' ' 139' ' ' LEU . . . -49.65 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.416 ' O ' HD11 ' A' ' 112' ' ' LEU . . . -130.84 -48.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.818 ' CB ' ' CZ ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -66.88 -22.17 65.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.583 ' CG2' HG21 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -72.36 -3.87 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -126.28 20.26 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.491 ' HB2' ' HE ' ' A' ' 117' ' ' ARG . 1.2 mp -129.45 148.55 69.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.621 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 154.81 42.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -41.19 -66.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 114' ' ' ALA . 15.1 t70 -39.32 -48.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.621 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 9.6 tpp -69.37 -33.97 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.818 ' CZ ' ' CB ' ' A' ' 109' ' ' MET . 2.4 mmp_? -57.61 -52.64 64.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 3.3 mt-10 -64.94 -48.86 72.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.66 -24.26 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 116' ' ' MET . 37.9 t80 -81.71 -60.27 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.527 ' O ' ' CG ' ' A' ' 125' ' ' GLU . 1.5 m -56.43 -33.36 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 6.7 pt20 -74.9 -49.57 19.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.537 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 19.7 t60 -58.22 -34.76 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -69.36 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.596 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.2 OUTLIER -51.66 -20.49 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.655 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -82.01 1.72 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.761 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.0 mmt -64.49 178.85 0.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.787 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.01 -99.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 201' ' ' VAL . 2.8 mt-30 174.47 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.754 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -123.7 83.25 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.67 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 1.7 p -151.61 170.82 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.527 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -115.6 110.67 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.695 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -87.63 138.59 15.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 6.5 tp -128.12 100.17 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.578 ' CD2' ' SD ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -87.46 140.73 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.624 ' CD1' ' CZ ' ' A' ' 104' ' ' TYR . 3.0 mp -135.12 114.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.5 p -120.1 -174.34 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -134.58 -86.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -21.11 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.545 ' C ' ' O ' ' A' ' 141' ' ' TYR . 0.2 OUTLIER -29.54 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 12.6 pt20 167.85 -28.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.605 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.73 47.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.605 ' HB3' ' O ' ' A' ' 144' ' ' ALA . 0.0 OUTLIER 176.03 -30.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.485 HD12 ' CB ' ' A' ' 186' ' ' ALA . 1.8 tp -89.02 120.53 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.7 101.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 95.67 122.46 3.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.07 125.26 9.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -85.59 30.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 151' ' ' PHE . 1.7 p 26.24 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.583 HG21 ' CG2' ' A' ' 110' ' ' ILE . 1.7 t -62.73 127.24 90.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.593 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.2 Cg_endo -74.97 111.99 3.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.646 ' HG2' ' CE1' ' A' ' 196' ' ' TYR . 1.3 mt-30 -39.64 -30.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -65.51 -37.57 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.607 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 9.7 t90 -63.66 -43.26 97.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 196' ' ' TYR . 2.3 mp -61.2 -57.36 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.7 t-80 -62.04 -17.16 56.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 161' ' ' VAL . 10.6 ttm180 -78.92 -60.47 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.632 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -96.16 -49.71 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.656 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -58.92 5.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.632 ' H ' ' C ' ' A' ' 161' ' ' VAL . 48.0 t -108.82 97.08 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 171.68 46.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.6 m120 149.88 -14.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.656 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.72 120.77 10.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.565 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.9 mt-10 -74.57 89.51 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.668 HG21 ' CE2' ' A' ' 196' ' ' TYR . 2.7 m -74.26 126.02 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.551 ' CG2' HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -120.74 145.37 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.625 ' HA ' ' CD1' ' A' ' 196' ' ' TYR . 10.2 pttt -69.43 141.59 54.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.581 ' O ' ' O ' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -170.69 167.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.563 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.03 -159.05 16.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.604 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 178.14 179.61 48.2 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 18.5 pt20 -109.52 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.13 10.84 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.403 ' O ' ' CG2' ' A' ' 176' ' ' THR . 10.2 t -116.56 74.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 190' ' ' ARG . 0.6 OUTLIER -70.2 -39.22 75.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . 0.428 ' N ' HD13 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -53.47 -19.61 3.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.6 p -57.56 -27.08 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.42 160.99 33.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -86.8 -29.64 22.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -20.3 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.51 ' HA2' ' CD2' ' A' ' 188' ' ' LEU . . . -61.39 -54.07 39.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.1 -15.98 48.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -38.09 70.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.485 ' CB ' HD12 ' A' ' 146' ' ' LEU . . . -106.52 -31.94 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.8 73.47 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.542 ' CD1' ' CD1' ' A' ' 145' ' ' LEU . 3.8 mm? -86.22 -51.11 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.401 0.707 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 15.5 mm-40 76.56 -3.37 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 159.05 102.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.438 ' CE ' HD22 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -145.61 155.23 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -81.01 128.75 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.604 ' O ' ' O ' ' A' ' 173' ' ' GLY . 1.0 OUTLIER -120.43 116.88 26.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 195' ' ' VAL . 41.4 m-70 -91.99 155.78 17.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.59 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.581 ' O ' ' O ' ' A' ' 171' ' ' VAL . 55.1 t -146.25 148.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.668 ' CE2' HG21 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -141.32 114.6 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.551 HG12 ' CG2' ' A' ' 169' ' ' THR . 6.0 p -88.3 98.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.565 ' HA ' ' O ' ' A' ' 167' ' ' GLU . 0.2 OUTLIER -100.24 126.12 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.1 tt0 -92.6 104.73 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.67 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -68.81 98.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.478 ' C ' ' O ' ' A' ' 130' ' ' GLN . 35.5 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -178.52 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -42.4 -65.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -140.4 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.6 p -131.69 78.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.534 ' C ' ' O ' ' A' ' 5' ' ' VAL . 14.0 t30 28.9 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.71 -36.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 12' ' ' TYR . 1.3 m-20 -64.72 -53.4 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.537 HD23 ' CD1' ' A' ' 104' ' ' TYR . 3.2 tm? -50.63 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 14' ' ' SER . 15.6 pt20 -53.83 -34.39 59.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.3 tp60 -70.54 -76.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.576 ' CD1' HG23 ' A' ' 197' ' ' VAL . 25.7 m-85 -43.83 -52.39 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.656 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 3.7 t-105 -55.06 -50.95 67.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -51.46 -31.94 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -55.08 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.35 -42.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 45.67 32.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' VAL . 10.9 p -44.37 154.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -32.78 143.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.32 2.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.428 ' HA2' ' HA ' ' A' ' 43' ' ' TYR . . . 103.76 0.98 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.8 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -41.13 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.757 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 5.2 mmt85 -81.94 113.39 19.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.522 ' HA ' ' O ' ' A' ' 102' ' ' ALA . 5.0 t -104.46 113.28 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.571 ' HG ' ' N ' ' A' ' 26' ' ' VAL . 0.1 OUTLIER -93.05 153.46 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.59 ' CG2' ' O ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -139.88 91.13 10.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.515 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.02 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.684 ' CD1' ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 31.8 68.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.521 ' CB ' HG22 ' A' ' 26' ' ' VAL . 4.5 t -117.64 -33.74 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.86 -100.89 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.432 1.083 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HE3' ' CZ ' ' A' ' 58' ' ' TYR . 8.4 pttp -179.41 130.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.9 -153.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 1.1 mp0 -71.54 -20.63 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -65.48 -57.91 7.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -69.25 -35.6 76.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -67.91 -28.79 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CE3' ' C ' ' A' ' 37' ' ' TRP . 9.4 t90 -77.7 -42.33 34.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' CD2' ' CG1' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -56.75 -64.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -58.66 -51.91 67.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.89 -17.91 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -94.08 -37.46 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.75 60.38 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.482 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 20.8 m-85 -138.97 165.79 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -81.68 99.92 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -93.38 97.09 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.489 ' CG1' HD11 ' A' ' 97' ' ' ILE . 2.3 p -132.47 117.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.612 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -153.93 -172.67 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.633 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -145.75 167.18 23.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -122.35 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.692 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 2.2 mm? -96.03 63.45 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.686 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 37.8 m -151.99 143.39 23.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' HA ' HG12 ' A' ' 55' ' ' VAL . 0.8 OUTLIER -98.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.06 -23.66 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.465 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -70.38 -46.56 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -61.25 -48.78 87.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 mt-10 -60.48 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -64.13 -26.33 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.554 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -73.2 -44.25 60.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.26 -32.13 71.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -39.08 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 57' ' ' ARG . 6.6 mm-40 -61.72 -45.96 91.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB3' ' HG2' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -84.37 -38.5 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.8 42.77 44.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 66' ' ' PRO . 3.2 pt-20 -147.13 62.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.3 pt20 -32.49 93.49 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.667 ' HG2' ' CD2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.0 -154.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -65.55 78.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.575 HD12 ' CE1' ' A' ' 59' ' ' PHE . 48.1 mm -92.18 117.44 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.485 HG21 ' CG1' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -126.71 143.18 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.379 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 24.9 t -99.73 117.23 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -106.74 85.54 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.78 -97.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t0 -113.31 27.85 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 88' ' ' ASP . 19.7 m-85 -140.62 172.76 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.9 tttp -129.31 161.06 31.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.602 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.3 m -142.09 106.33 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.818 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -102.23 101.55 11.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.72 156.6 40.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.05 -64.41 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.562 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -99.03 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.79 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.562 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -107.03 119.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.683 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.5 OUTLIER -109.42 109.64 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 77' ' ' TYR . 1.6 t -75.09 141.85 43.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.47 -94.22 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.657 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 3.9 t70 -135.39 161.83 34.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.7 ' O ' ' HB3' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -137.52 128.76 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.7 ' HB3' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 168.57 -22.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.417 ' N ' ' CD1' ' A' ' 90' ' ' PHE . . . -109.24 59.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -146.09 -28.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.519 ' N ' HD11 ' A' ' 92' ' ' LEU . 0.2 OUTLIER 70.17 90.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.508 ' HB3' ' CD1' ' A' ' 25' ' ' LEU . . . -58.7 -14.25 8.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.484 ' HG2' ' CG2' ' A' ' 93' ' ' THR . 19.1 ptt180 -83.07 -43.4 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.88 -45.9 91.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.527 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -78.71 -51.09 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -53.43 -72.8 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.696 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 8.0 t-80 55.53 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.664 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 30.2 p -143.98 132.1 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.8 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 149.32 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.656 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -166.94 -178.36 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.68 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.8 p90 -162.91 127.01 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.537 ' CD1' HD23 ' A' ' 9' ' ' LEU . 8.3 t80 -93.23 113.29 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 106' ' ' ARG . 49.0 t0 -99.16 134.16 42.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -96.12 172.15 8.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.481 ' HB2' ' CD1' ' A' ' 110' ' ' ILE . . . -67.45 94.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.25 -38.36 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.571 ' HB2' ' NH2' ' A' ' 117' ' ' ARG . 7.7 mmt -63.73 -37.9 89.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.489 ' CD1' ' HB3' ' A' ' 150' ' ' PRO . 9.8 pt -65.34 -12.02 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -88.93 7.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.552 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -140.42 166.78 20.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -74.97 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.64 -63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 38.3 t0 -39.67 -61.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.552 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 18.2 tpp -54.9 -39.84 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.694 ' O ' ' HB ' ' A' ' 121' ' ' VAL . 0.0 OUTLIER -55.52 -55.87 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.59 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 4.5 mt-10 -65.58 -23.35 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.6 OUTLIER -69.59 -55.49 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.462 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 2.3 t80 -72.51 -34.53 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.694 ' HB ' ' O ' ' A' ' 117' ' ' ARG . 1.2 t -60.33 -58.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.473 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 12.2 pt20 -58.55 -49.47 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.445 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 3.5 m170 -55.08 -36.56 65.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -67.43 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.546 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 1.5 pp20? -51.27 -19.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.57 -52.24 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.6 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -84.5 -4.82 59.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.626 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 5.6 mmt -60.53 174.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.696 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.04 -165.11 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -101.3 -49.36 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.28 97.54 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 35.9 m -150.29 154.7 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 108.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.458 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -97.73 107.72 20.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.68 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.69 146.28 18.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.64 108.16 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.7 136.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.529 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 13.0 mm -118.79 93.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 194' ' ' HIS . 34.5 p -105.19 174.0 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.53 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -141.87 179.11 7.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' TYR . 5.7 mt-10 -136.3 -73.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.498 ' O ' ' C ' ' A' ' 142' ' ' ASP . 68.8 t80 -32.43 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.521 ' CB ' HD12 ' A' ' 146' ' ' LEU . 0.4 OUTLIER -31.98 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.502 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 7.8 pt20 164.87 -21.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -132.67 48.73 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.713 ' C ' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 178.21 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.521 HD12 ' CB ' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.28 166.07 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 110.26 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 110.288 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.63 142.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 119.72 5.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.489 ' HB3' ' CD1' ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.94 132.7 15.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.3 OUTLIER -78.81 13.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' PHE . 11.9 p 35.83 54.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.504 ' CG2' ' NE ' ' A' ' 117' ' ' ARG . 11.8 p -46.72 122.29 7.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.6 Cg_endo -74.95 129.08 12.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.623 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 20.5 tp60 -43.6 -39.55 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 157' ' ' TRP . 10.2 t -56.48 -31.67 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.664 ' CZ3' ' NH1' ' A' ' 117' ' ' ARG . 36.9 t90 -66.55 -55.78 13.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.64 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.5 mt -55.83 -28.08 54.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.688 ' O ' ' CB ' ' A' ' 163' ' ' SER . 27.7 t-80 -84.59 -21.06 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.595 ' CG ' HG13 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -84.21 -34.44 23.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.673 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.16 -63.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.7 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.23 6.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.688 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 41.7 t -99.01 95.31 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 154.09 51.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.097 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 3.5 m-20 155.09 -24.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.2 116.09 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 107.984 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.94 99.11 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.615 HG13 ' CD2' ' A' ' 198' ' ' LEU . 0.4 OUTLIER -87.6 131.74 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.526 ' CB ' HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -123.9 145.06 49.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -68.48 134.09 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.512 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -160.74 165.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 95.41 -143.72 16.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.19 -165.78 33.91 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.435 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.1 pp0? -110.6 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 0.6 OUTLIER 74.93 6.19 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 176' ' ' THR . 10.3 t -115.68 74.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.547 ' CD2' ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -83.43 -34.34 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -58.39 -42.35 86.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.642 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -65.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 191' ' ' MET . 26.1 t -72.96 121.18 19.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.08 91.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.4 ' NH2' ' NZ ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -46.4 -41.05 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.542 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -58.75 -62.78 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.87 -36.23 16.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . 0.4 ' NZ ' ' NH2' ' A' ' 182' ' ' ARG . 3.0 tttp -59.16 -53.76 54.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.633 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -68.48 -40.04 81.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.11 76.84 1.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.624 ' HG ' ' CD2' ' A' ' 145' ' ' LEU . 2.0 mp -111.53 -22.03 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' A' ' 190' ' ' ARG . 16.0 pt-20 37.21 30.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 189' ' ' GLU . 0.2 OUTLIER 159.7 96.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' A' ' 193' ' ' GLU . 0.2 OUTLIER -150.69 153.67 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.435 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 5.3 m-20 -83.97 122.12 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 173' ' ' GLY . 23.4 tt0 -114.43 114.3 25.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.455 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.2 OUTLIER -99.54 123.05 43.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.654 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.567 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 42.6 t -112.44 150.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.623 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 14.2 m-85 -143.02 117.64 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.576 HG23 ' CD1' ' A' ' 12' ' ' TYR . 2.3 p -84.83 100.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.615 ' CD2' HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -99.28 96.61 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 100.58 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.579 ' CD ' ' HB3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -66.51 105.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.83 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.76 -81.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.47 84.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.5 p -131.1 78.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.517 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 7.2 t30 32.94 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.38 -35.0 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' TYR . 12.1 m-20 -65.89 -50.27 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 ' CB ' ' HB3' ' A' ' 6' ' ' ASN . 3.3 tm? -53.49 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 14' ' ' SER . 5.4 pt20 -56.33 -31.17 63.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 6.7 tp60 -73.26 -77.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' CE1' HG23 ' A' ' 197' ' ' VAL . 27.3 m-85 -43.89 -47.03 8.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.695 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 4.4 t-105 -61.59 -49.11 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -51.14 -42.7 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . 3.2 m -79.13 -48.12 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER -40.13 -42.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 61.92 57.47 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.475 HG13 ' HB1' ' A' ' 22' ' ' ALA . 90.9 t -70.6 139.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.549 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.1 p -42.69 145.42 0.86 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.549 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 45.63 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.52 33.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.795 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -90.88 157.88 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.732 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.6 mmt85 -90.82 127.34 36.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.531 ' CG1' HD13 ' A' ' 38' ' ' LEU . 11.4 t -107.21 105.65 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.579 ' HA ' ' O ' ' A' ' 46' ' ' VAL . 1.7 tm? -86.3 134.03 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.673 HG21 ' O ' ' A' ' 26' ' ' VAL . 11.1 m -136.08 106.04 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 134.08 17.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 ' C ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 33.95 36.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 1.9 t -90.37 -35.01 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 84' ' ' ILE . . . 64.2 -102.04 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -133.72 155.07 50.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.64 171.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -55.1 -32.55 62.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.48 -57.33 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -51.65 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -58.6 -36.51 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.432 ' CD1' HG11 ' A' ' 5' ' ' VAL . 73.4 t90 -61.16 -48.18 82.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD13 ' CG1' ' A' ' 24' ' ' VAL . 6.6 mt -60.77 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 -34.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.47 -38.26 58.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' LEU . 21.2 mm-40 -74.57 -27.77 60.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.88 68.38 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -131.79 172.93 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.32 86.57 5.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.6 t -78.14 114.08 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 25' ' ' LEU . 2.8 p -141.95 119.94 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.698 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -156.66 -172.45 23.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.543 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -133.45 164.04 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -123.2 131.79 53.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 89' ' ' PHE . 1.5 mm? -99.54 73.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.419 ' CB ' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.58 135.79 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -98.36 -46.85 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.17 87.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -64.98 -33.94 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.613 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -64.8 -51.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' HG13 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.97 -42.6 98.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -62.08 -38.14 87.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -65.38 -41.72 93.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 3.8 m-30 -72.58 -26.68 61.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.15 -37.55 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -82.45 -34.83 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.55 36.85 28.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.4 mt-10 76.24 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 165.67 -51.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.07 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.02 106.83 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.569 HG22 ' CE2' ' A' ' 59' ' ' PHE . 14.1 mm -100.79 128.47 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.511 ' CB ' HG12 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.15 153.71 46.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.8 p -112.78 99.13 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.5 mm-40 -89.62 85.34 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.41 -91.66 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.09 -8.66 12.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 40.2 m-85 -102.8 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.569 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 7.9 tttt -128.73 161.83 28.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.511 HG12 ' CB ' ' A' ' 69' ' ' THR . 0.2 OUTLIER -142.7 110.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -110.62 102.31 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -103.09 139.36 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -109.78 165.21 13.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.15 21.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' O ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -117.32 162.03 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 46' ' ' VAL . 0.3 OUTLIER -103.02 57.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.553 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -112.23 124.47 68.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.698 ' CD1' ' O ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -105.85 100.21 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.481 ' HA ' ' CB ' ' A' ' 49' ' ' GLU . 5.0 t -70.11 140.16 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 134.35 -100.07 0.36 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 11.5 t70 -128.42 164.25 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.663 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 1.7 t80 -122.65 99.71 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.751 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 174.61 68.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.06 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.741 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.99 167.82 20.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.533 ' N ' HD21 ' A' ' 92' ' ' LEU . 2.4 m -113.98 86.76 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 127' ' ' LEU . . . -50.32 -14.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 40.1 ttt180 -83.11 -43.18 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -74.46 -23.01 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.536 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -92.8 -36.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.733 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -76.64 -68.02 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.71 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 6.3 p80 53.06 -72.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.733 ' N ' ' O ' ' A' ' 98' ' ' GLY . 14.6 p -141.14 137.24 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.795 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 144.53 -111.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.695 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -164.68 -175.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.534 ' CD1' ' CA ' ' A' ' 134' ' ' GLY . 0.1 OUTLIER -159.53 125.15 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.576 ' CE2' HD13 ' A' ' 137' ' ' ILE . 46.0 t80 -103.85 126.86 51.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.527 ' HB3' ' CD1' ' A' ' 136' ' ' LEU . 29.0 t0 -113.55 145.81 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 171.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.505 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -53.04 100.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.419 ' HB1' ' NH2' ' A' ' 117' ' ' ARG . . . -130.28 -49.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.747 ' HB3' ' NE ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -59.82 -34.99 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.505 ' CD1' ' C ' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -62.58 -14.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.12 -40.46 10.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.495 ' CD2' ' HG2' ' A' ' 116' ' ' MET . 5.9 mp -88.65 162.07 40.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.612 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -74.98 -153.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -85.24 -68.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 0.9 OUTLIER -40.32 -55.17 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.612 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 1.3 tpt -51.34 -58.97 4.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.747 ' NE ' ' HB3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -53.48 -32.88 52.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -61.42 -53.56 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -68.97 -20.88 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.424 ' OH ' HD22 ' A' ' 28' ' ' LEU . 6.3 t80 -76.94 -48.43 18.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.57 ' CG1' ' HD2' ' A' ' 117' ' ' ARG . 2.6 m -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 2.4 pt20 -61.84 -50.34 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.546 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 1.8 m-70 -59.89 -36.35 76.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.55 ' O ' HD13 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.33 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -50.33 -24.72 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.64 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -81.47 7.2 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.695 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.2 mmt -76.1 176.62 3.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.71 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -102.42 -45.17 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.51 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.72 97.57 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.566 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -149.87 152.01 34.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.498 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -97.11 108.62 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.534 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -86.76 151.5 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.572 ' CD1' HG21 ' A' ' 197' ' ' VAL . 54.1 tp -158.2 110.87 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.783 ' HB3' ' CE2' ' A' ' 196' ' ' TYR . 0.8 OUTLIER -100.75 147.23 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.576 HD13 ' CE2' ' A' ' 104' ' ' TYR . 2.5 mp -123.73 106.07 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.601 ' CG2' HD23 ' A' ' 136' ' ' LEU . 32.2 p -110.08 172.62 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.502 ' N ' HD11 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -140.13 172.89 12.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 4.9 tt0 -126.35 -76.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.4 OUTLIER -23.13 -77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.552 ' OD1' ' N ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -28.27 146.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.497 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 2.4 pp0? 160.74 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.588 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.2 45.28 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.682 ' CD2' ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 175.86 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.241 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.546 HD12 ' CB ' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.92 153.45 21.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.469 ' CG ' ' O ' ' A' ' 147' ' ' GLU . 10.4 pt-20 -57.16 110.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 68.29 148.11 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 109.8 2.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 148' ' ' GLY . 18.4 Cg_endo -75.01 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.559 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.4 t80 -92.39 81.78 4.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.0 OUTLIER -25.6 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.467 HG12 ' O ' ' A' ' 153' ' ' VAL . 9.3 p -70.86 125.96 92.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.451 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.0 Cg_endo -75.03 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -40.57 -32.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 3.1 t -56.09 -34.93 66.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.669 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 58.8 t90 -64.54 -58.83 5.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.63 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.4 mt -52.35 -28.03 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.713 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.9 t-80 -83.99 -22.25 31.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.6 OUTLIER -83.72 -33.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.678 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.31 -62.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.736 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.62 5.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.713 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 33.1 t -97.71 91.56 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 159.27 54.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 7.1 m-20 152.31 -21.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 130.01 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 108.011 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.5 mt-10 -82.27 90.1 6.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.548 ' HA ' ' O ' ' A' ' 197' ' ' VAL . 1.7 m -69.95 157.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -157.42 139.05 13.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.457 ' C ' ' CG1' ' A' ' 171' ' ' VAL . 0.8 OUTLIER -71.63 149.87 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.613 HG13 ' HA ' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -171.19 169.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 86.21 -151.95 25.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 166.21 -174.05 41.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 1.9 pt20 -101.86 163.51 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 9.2 t0 84.21 -9.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 176' ' ' THR . 9.0 t -107.24 74.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.591 ' CD2' ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -90.95 -19.52 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -77.47 14.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 177' ' ' LEU . 11.0 t -99.98 -19.87 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' SER . . . . . 0.432 ' HB2' ' OE1' ' A' ' 193' ' ' GLU . 43.7 t -118.7 160.58 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -92.74 -32.38 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -46.37 -24.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.516 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -71.93 -49.8 21.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.24 -15.67 61.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -57.79 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . 0.642 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -74.72 -40.55 61.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 101.41 68.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.682 ' HG ' ' CD2' ' A' ' 145' ' ' LEU . 3.8 mp -110.22 -41.67 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 4.8 pt-20 50.42 24.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 168.34 108.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 1.1 ptt? -172.17 144.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.424 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.3 m-20 -66.85 134.71 52.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 173' ' ' GLY . 2.1 tt0 -124.77 115.24 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.504 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.1 OUTLIER -103.09 122.62 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.537 ' O ' ' O ' ' A' ' 171' ' ' VAL . 57.8 t -114.38 149.9 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.834 ' CE1' HD23 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -147.87 118.2 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.572 HG21 ' CD1' ' A' ' 135' ' ' LEU . 1.4 t -82.54 167.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.834 HD23 ' CE1' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -163.13 110.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -76.25 100.35 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.436 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.6 101.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' GLN . 2.7 m80 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' HIS . 6.1 mp0 -37.83 -73.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -140.68 84.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.484 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.5 p -131.74 143.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.545 ' HA ' ' CB ' ' A' ' 179' ' ' SER . 6.2 m-80 -33.84 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -42.81 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -41.63 97.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.6 ' O ' ' HB2' ' A' ' 13' ' ' TRP . 1.6 tm? -56.29 -65.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 14' ' ' SER . 3.9 pp0? -57.82 -28.3 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.27 -80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.434 ' OH ' ' HB ' ' A' ' 171' ' ' VAL . 40.2 m-85 -44.16 -47.12 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.727 ' CH2' ' CB ' ' A' ' 102' ' ' ALA . 1.9 t-105 -58.28 -55.39 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.0 t -46.7 -34.81 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -85.05 -49.46 8.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.13 -52.64 5.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.39 37.96 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 19' ' ' VAL . 1.1 p -51.94 150.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.539 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 7.8 p -34.83 142.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -2.95 18.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.768 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -43.63 156.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.739 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 4.2 mmt85 -80.89 119.15 23.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' CZ2' ' A' ' 13' ' ' TRP . 41.5 t -102.03 94.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.646 ' CD2' ' HB3' ' A' ' 94' ' ' ALA . 2.9 tm? -79.35 139.62 37.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.594 ' CG2' ' HA3' ' A' ' 47' ' ' GLY . 33.7 m -148.14 101.76 3.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.584 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 137.92 22.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 24.34 54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.469 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -80.4 -35.29 35.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 69.39 57.97 6.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 35.21 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 m -118.32 169.06 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 179' ' ' SER . 0.0 OUTLIER -55.59 -30.2 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -56.36 -55.7 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.479 ' CG ' HG22 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -62.27 -48.73 78.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.7 m -54.12 -38.58 65.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.568 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 78.9 t90 -66.98 -43.51 82.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.7 HD12 ' CZ2' ' A' ' 13' ' ' TRP . 0.4 OUTLIER -57.69 -45.8 85.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -61.98 -39.27 91.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.09 74.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.568 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 18.8 mm-40 -81.02 -37.8 28.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.86 66.21 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -132.26 170.97 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.41 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -83.63 78.52 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 38' ' ' LEU . 85.0 t -67.98 113.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.588 ' CG1' HD13 ' A' ' 97' ' ' ILE . 1.3 p -137.47 133.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.724 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -173.32 -172.75 39.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.643 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -143.68 167.26 22.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.554 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -126.13 125.82 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.657 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.7 OUTLIER -88.41 66.12 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.632 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 11.0 m -152.02 134.4 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.08 -62.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.95 -27.24 12.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' CB ' ' HB2' ' A' ' 51' ' ' SER . . . -65.91 -48.67 70.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.663 HG21 ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -60.17 -40.9 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' HG23 ' A' ' 55' ' ' VAL . 7.0 mt-10 -63.64 -43.97 95.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -61.09 -35.86 78.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 110.342 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.565 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.1 -39.82 75.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.663 ' CE2' HG21 ' A' ' 55' ' ' VAL . 3.1 m-30 -71.38 -26.44 62.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -36.13 24.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.12 -42.17 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -84.33 -35.85 22.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.0 38.62 18.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 18.1 mt-10 74.7 153.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 161.79 -49.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.616 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.02 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.22 110.0 22.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.603 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.57 HD13 ' CZ ' ' A' ' 59' ' ' PHE . 34.0 mm -93.91 132.39 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.473 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -131.67 156.5 45.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.9 p -103.84 138.06 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -147.01 87.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.32 -118.22 11.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -95.54 23.15 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.684 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 95.9 m-85 -139.82 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.692 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -124.86 175.88 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.473 ' HB ' ' CG2' ' A' ' 69' ' ' THR . 70.1 t -142.81 97.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.703 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -105.26 101.1 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -104.18 141.46 36.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -109.38 162.05 21.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -38.46 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.42 -54.37 32.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -118.46 158.39 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' HD11 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.58 48.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER -104.22 121.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.73 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -109.54 107.99 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 1.7 t -73.92 144.13 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 127.3 -99.98 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.684 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 7.3 p-10 -125.37 163.39 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.73 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -121.71 176.63 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER 79.6 54.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.68 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.567 ' HG ' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -139.76 16.52 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.45 ' O ' HG21 ' A' ' 97' ' ' ILE . 0.2 OUTLIER 35.74 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.646 ' HB3' ' CD2' ' A' ' 25' ' ' LEU . . . -61.38 -11.16 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.635 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -81.59 -41.15 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -76.55 -40.15 50.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.641 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -79.03 -37.13 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.499 ' N ' HG22 ' A' ' 97' ' ' ILE . . . -72.77 -67.98 1.7 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.608 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 7.2 t-160 67.13 -69.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.75 . . . . 0.0 109.604 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.678 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 29.7 p -154.98 148.64 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.768 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . . . 146.8 -106.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.727 ' CB ' ' CH2' ' A' ' 13' ' ' TRP . . . -163.99 163.99 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.603 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -143.82 116.23 8.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.617 ' CE2' HD13 ' A' ' 137' ' ' ILE . 22.0 t80 -94.25 131.61 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.603 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 37.5 t0 -120.41 128.47 53.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -101.64 170.14 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.498 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -41.29 101.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -146.63 -51.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.623 ' SD ' ' CD1' ' A' ' 120' ' ' TYR . 2.0 mmt -64.56 -35.39 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.479 ' CG2' HG21 ' A' ' 138' ' ' THR . 0.1 OUTLIER -64.23 -12.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 108' ' ' ALA . . . -77.38 -52.92 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.571 HD13 ' CD2' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -78.45 166.7 41.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.0 -66.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -39.99 -63.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 1.1 tpt -51.6 -46.55 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.678 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -52.68 -45.42 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.518 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 4.7 mt-10 -62.09 -56.3 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.499 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.68 -23.05 26.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.623 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 1.3 t80 -80.39 -53.37 6.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.465 ' CG1' ' O ' ' A' ' 117' ' ' ARG . 1.5 m -59.58 -38.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.568 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -69.21 -52.07 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.568 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 8.6 m170 -54.45 -42.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -59.91 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.771 ' OE2' ' CG ' ' A' ' 166' ' ' TRP . 3.9 mt-10 -54.02 -19.47 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -73.08 -51.37 18.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.635 ' O ' ' N ' ' A' ' 95' ' ' ARG . 0.2 OUTLIER -90.85 5.0 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.624 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 7.3 mmt -71.62 173.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -45.91 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.654 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.8 103.0 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.61 ' HB2' ' C ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -154.04 168.9 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.553 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -113.7 110.3 19.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -83.65 153.09 29.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.546 HD12 ' CG1' ' A' ' 195' ' ' VAL . 0.3 OUTLIER -145.78 99.05 3.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.484 ' CD2' ' CG ' ' A' ' 105' ' ' ASP . 0.2 OUTLIER -87.36 147.5 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.617 HD13 ' CE2' ' A' ' 104' ' ' TYR . 3.4 mp -132.64 109.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.587 ' OG1' ' CE2' ' A' ' 196' ' ' TYR . 24.4 p -115.67 178.32 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.539 ' CD1' ' CD2' ' A' ' 146' ' ' LEU . 0.1 OUTLIER -150.63 173.72 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -135.01 -80.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.557 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -22.95 -69.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.539 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -32.93 147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 176.51 -33.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.458 ' N ' HD13 ' A' ' 145' ' ' LEU . . . -129.04 60.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.699 ' N ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 170.47 -21.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.631 ' N ' HD11 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -99.61 126.01 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.475 ' N ' HD13 ' A' ' 146' ' ' LEU . 25.7 mt-10 -45.39 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 88.26 140.66 7.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.44 3.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.515 ' CG ' ' OD2' ' A' ' 142' ' ' ASP . 18.1 Cg_endo -75.01 135.94 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.413 1.744 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.509 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.8 t80 -105.61 88.33 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.9 OUTLIER -30.2 117.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.466 HG13 ' NE ' ' A' ' 117' ' ' ARG . 1.7 t -104.12 117.87 58.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.1 Cg_endo -75.08 122.4 7.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 3.0 mp0 -40.85 -26.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -62.19 -45.13 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.713 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 33.4 t90 -63.82 -51.94 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.695 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -54.94 -31.67 60.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.61 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.2 t60 -85.13 -17.89 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -82.58 -37.34 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.713 HG12 ' CZ2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -113.98 -59.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.695 ' CB ' ' O ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -56.9 6.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.665 ' H ' ' C ' ' A' ' 161' ' ' VAL . 24.6 t -104.97 100.47 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.645 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 163.28 54.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 27.4 m-20 143.91 -18.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CG ' ' OE2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -145.72 127.4 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . 0.736 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.8 mt-10 -89.56 97.99 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.835 ' CG2' ' HB3' ' A' ' 198' ' ' LEU . 47.5 t -76.2 139.01 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -125.4 142.63 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.422 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -65.7 141.71 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.592 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -171.41 169.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.592 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.34 -162.05 16.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -172.27 -166.27 30.63 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.4 pt20 -118.29 148.56 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . 0.461 ' HA ' ' N ' ' A' ' 191' ' ' MET . 3.6 m-20 70.28 7.73 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.623 ' O ' ' CG2' ' A' ' 176' ' ' THR . 5.5 t -117.08 74.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.59 ' CD2' ' HG3' ' A' ' 191' ' ' MET . 3.9 pp -91.2 -22.88 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . 0.547 ' N ' HD13 ' A' ' 177' ' ' LEU . 11.0 p-80 -41.47 -26.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.547 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.545 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 17.3 m -59.28 -55.43 34.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 96.0 p -86.61 159.55 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -85.72 -50.08 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -37.89 -31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 181' ' ' ALA . . . -60.39 -55.46 29.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -71.53 -18.45 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.97 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -96.71 -40.0 9.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 86.08 76.5 1.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.565 ' CG ' HD21 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -111.69 1.91 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 189' ' ' GLU . 0.7 OUTLIER 33.3 66.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.567 ' H ' ' CD2' ' A' ' 177' ' ' LEU . 40.8 mtt180 80.75 123.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.59 ' HG3' ' CD2' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -160.61 155.17 23.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -50.75 104.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.64 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.4 OUTLIER -122.78 109.63 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 138' ' ' THR . 1.6 m80 -92.05 157.97 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.61 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 20.1 t -147.72 155.07 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.614 ' HA ' ' O ' ' A' ' 169' ' ' THR . 5.5 m-85 -147.17 116.2 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.518 HG13 ' CG2' ' A' ' 169' ' ' THR . 7.7 p -94.3 107.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.835 ' HB3' ' CG2' ' A' ' 168' ' ' VAL . 0.1 OUTLIER -99.86 152.69 19.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.49 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.2 mt-10 -112.56 100.41 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.231 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.596 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -66.1 93.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.422 ' C ' ' OE1' ' A' ' 2' ' ' GLN . 78.5 m-70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 4' ' ' GLU . 13.4 pm0 -179.83 -30.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 2' ' ' GLN . 1.2 m -37.69 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -140.42 84.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 6' ' ' ASN . 1.7 p -131.73 78.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.541 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 33.05 95.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -39.38 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' OD1' HD11 ' A' ' 137' ' ' ILE . 3.1 p30 -65.07 -34.22 77.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.509 ' CB ' ' HB2' ' A' ' 6' ' ' ASN . 2.4 tm? -67.5 -65.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -55.95 -28.08 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 18.5 tp60 -65.17 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' LEU . 21.7 m-85 -46.13 -54.77 8.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.633 ' CH2' ' HB2' ' A' ' 102' ' ' ALA . 1.4 t-105 -47.79 -50.56 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 30.3 t -61.23 -30.84 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -96.9 11.09 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 12' ' ' TYR . 6.2 mt -106.87 -58.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.88 36.15 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.511 HG11 ' CB ' ' A' ' 22' ' ' ALA . 57.4 t -46.79 148.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.545 ' CG2' ' HD2' ' A' ' 20' ' ' PRO . 2.0 p -36.41 145.51 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.545 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.6 -1.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.77 ' CB ' ' HB2' ' A' ' 101' ' ' ALA . . . -44.16 155.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.793 ' N ' ' HB2' ' A' ' 101' ' ' ALA . 4.7 mmt85 -79.82 114.85 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.554 HG11 ' CH2' ' A' ' 13' ' ' TRP . 32.5 t -107.85 114.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.528 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 6.9 tp -86.35 152.99 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 30' ' ' GLY . 41.2 t -137.69 83.95 23.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.667 ' CD ' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.02 115.28 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.565 ' HB3' ' CB ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 37.36 29.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 106' ' ' ARG . 62.0 m -104.3 -25.71 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -24.42 90.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 29' ' ' CYS . 5.5 ttmt -108.32 -96.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' SER . 26.0 p -173.24 -55.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 12.0 mm-40 -72.45 -35.19 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.4 -58.01 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.474 ' CG ' ' N ' ' A' ' 36' ' ' SER . 11.5 ptm -69.93 -49.78 48.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' SER . 58.0 m -50.14 -31.49 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.487 ' CZ3' ' CD1' ' A' ' 13' ' ' TRP . 9.2 t90 -76.94 -52.51 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.049 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 HD23 ' CG1' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.4 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -57.65 -45.77 85.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.951 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.11 -23.43 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -92.82 -21.92 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 107.19 50.64 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -118.53 164.32 15.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -91.32 84.58 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.4 t -74.7 109.52 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.614 ' CG2' ' HB3' ' A' ' 83' ' ' GLU . 6.5 p -138.51 98.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.705 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -146.25 -172.61 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.805 ' HB3' ' CD2' ' A' ' 85' ' ' TRP . . . -133.66 168.64 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.644 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -124.88 91.45 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -61.31 65.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.3 m -151.93 133.39 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 4.2 mp0 -98.37 -43.08 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.55 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG11 ' CZ ' ' A' ' 59' ' ' PHE . 1.1 t -59.61 -55.2 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.51 ' N ' HG13 ' A' ' 55' ' ' VAL . 59.4 mm-40 -62.97 -44.78 95.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 5.7 tpt180 -59.75 -30.46 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.4 m-30 -71.87 -49.74 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CZ ' HG11 ' A' ' 55' ' ' VAL . 2.0 m-30 -62.14 -30.6 71.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.12 -26.56 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.5 mm-40 -77.73 -33.76 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -96.81 -31.83 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.09 47.26 67.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -122.49 -42.57 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.1 76.25 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.741 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.1 Cg_endo -75.01 -154.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -62.75 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.641 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.436 HG12 ' O ' ' A' ' 66' ' ' PRO . 23.9 mm -87.54 133.21 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.521 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -135.08 170.5 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.467 ' N ' ' CG2' ' A' ' 69' ' ' THR . 90.2 p -121.57 120.17 34.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 1.4 mm-40 -120.95 104.99 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' ASP . . . 42.06 58.33 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 12.1 t0 88.84 -47.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.61 174.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.551 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -118.45 172.48 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.521 ' HB ' ' CG2' ' A' ' 69' ' ' THR . 87.8 t -142.31 106.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.741 ' CE2' ' CG ' ' A' ' 66' ' ' PRO . 7.7 t80 -99.96 101.11 12.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -112.3 120.08 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.26 155.88 38.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.17 0.74 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' CD1' ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -106.12 152.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.614 ' HB3' ' CG2' ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.94 51.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.602 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.2 OUTLIER -108.45 112.15 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TRP . . . . . 0.805 ' CD2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.01 98.4 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -72.27 119.68 16.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.365 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 74' ' ' PHE . . . 150.09 -101.55 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.634 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -103.59 163.63 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.674 ' HB2' ' HB2' ' A' ' 48' ' ' ALA . 1.4 t80 -144.01 88.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 164.46 41.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.55 -33.51 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.698 ' HG ' ' CZ2' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -92.51 -161.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 95' ' ' ARG . 1.6 m -130.23 94.24 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.471 ' CB ' HD11 ' A' ' 127' ' ' LEU . . . -55.94 -12.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -78.92 -43.71 24.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -75.0 -44.18 49.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.607 ' O ' ' CG ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -74.56 -30.06 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -77.33 -74.51 0.98 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.749 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 62.91 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.67 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 9.0 t -152.14 142.85 22.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.793 ' HB2' ' N ' ' A' ' 23' ' ' ARG . . . 149.38 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.633 ' HB2' ' CH2' ' A' ' 13' ' ' TRP . . . -162.1 166.56 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.691 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -150.94 118.91 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . 0.667 ' O ' ' CD ' ' A' ' 27' ' ' PRO . 6.1 t80 -84.87 169.19 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB3' HD23 ' A' ' 136' ' ' LEU . 9.8 t0 -161.43 137.68 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -108.77 170.59 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.452 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -59.78 95.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.524 ' O ' HD21 ' A' ' 112' ' ' LEU . . . -129.67 -46.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.56 -22.28 66.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.492 ' CG2' HG21 ' A' ' 138' ' ' THR . 0.1 OUTLIER -71.64 -11.56 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.41 ' N ' HD11 ' A' ' 110' ' ' ILE . . . -90.92 -55.09 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.1 OUTLIER -66.44 166.6 16.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.02 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -63.07 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.9 t0 -39.29 -55.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 34.4 tpp -59.68 -44.39 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.609 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 44.2 mtp180 -54.01 -43.89 70.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 2.6 mt-10 -65.0 -43.25 93.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.563 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 3.0 mmt180 -67.21 -26.13 66.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -75.62 -59.76 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.556 ' HB ' ' HG2' ' A' ' 162' ' ' MET . 1.9 m -55.76 -45.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.524 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.6 pt20 -62.5 -47.13 85.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 5.8 m-70 -58.54 -38.09 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.546 HD13 ' CZ ' ' A' ' 103' ' ' PHE . 0.4 OUTLIER -68.21 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.524 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 2.1 pp20? -50.52 -22.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.19 -57.89 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.623 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.2 OUTLIER -81.46 3.28 25.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.629 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.4 mmt -72.54 174.23 4.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.749 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 201' ' ' VAL . 6.2 tt0 -106.09 -41.57 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.666 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -140.15 98.59 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' CYS . . . . . 0.581 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -151.51 157.58 42.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.462 ' N ' ' HA ' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -100.92 107.84 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.691 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -85.99 157.04 30.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.538 HD12 ' CG1' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -150.05 104.04 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -101.49 135.9 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.528 ' N ' ' CD2' ' A' ' 136' ' ' LEU . 3.3 mm -114.35 134.31 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.492 HG21 ' CG2' ' A' ' 110' ' ' ILE . 13.6 p -137.21 165.99 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.596 HD21 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -130.44 168.11 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 141' ' ' TYR . 15.3 tt0 -131.88 -91.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -25.45 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.571 ' OD1' ' N ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -30.63 145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 178.0 -31.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -117.97 52.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.783 ' N ' HD13 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . 0.574 ' N ' HD11 ' A' ' 145' ' ' LEU . 0.1 OUTLIER -87.47 126.46 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . 0.492 ' N ' HD13 ' A' ' 146' ' ' LEU . 13.0 mt-10 -43.95 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.408 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 84.04 126.65 1.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 148' ' ' GLY . 18.3 Cg_endo -75.01 151.94 40.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 151' ' ' PHE . 24.9 t80 -99.25 19.2 15.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' A' ' 152' ' ' SER . 21.6 p 40.01 75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.41 ' CG1' HG22 ' A' ' 110' ' ' ILE . 11.1 p -63.44 117.47 34.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 124.71 8.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.77 -38.43 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 157' ' ' TRP . 11.6 t -53.66 -37.06 62.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TRP . . . . . 0.621 ' CZ2' HG12 ' A' ' 161' ' ' VAL . 71.1 t90 -62.98 -59.88 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LEU . . . . . 0.652 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.0 OUTLIER -52.03 -25.98 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.718 ' O ' ' CB ' ' A' ' 163' ' ' SER . 8.3 t60 -84.23 -23.61 30.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 1.4 ptp180 -84.32 -32.86 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' VAL . . . . . 0.685 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.04 -64.59 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.735 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -55.84 6.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.718 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 40.3 t -99.81 100.14 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.68 53.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 0.9 OUTLIER 153.34 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' TRP . . . . . 0.735 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.88 125.69 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.3 100.71 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.896 ' HB ' ' CE1' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -72.11 145.26 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.47 ' CG2' ' CG1' ' A' ' 197' ' ' VAL . 0.4 OUTLIER -143.83 139.6 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -67.42 142.04 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' VAL . . . . . 0.622 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.1 OUTLIER -169.47 171.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.36 -160.22 17.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -165.15 169.05 39.56 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pt20 -104.24 152.86 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 174' ' ' GLN . 0.5 OUTLIER 66.56 6.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 176' ' ' THR . 14.7 t -116.94 76.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' LEU . . . . . 0.636 ' CD2' ' HB2' ' A' ' 188' ' ' LEU . 0.2 OUTLIER -82.27 -10.2 59.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' HIS . . . . . 0.632 ' N ' HD13 ' A' ' 177' ' ' LEU . 1.4 m80 -58.35 -25.24 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.442 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.1 m -56.51 -19.34 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 3.6 m -132.31 162.04 32.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -81.79 -32.21 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 182' ' ' ARG . 4.2 ptp180 -48.19 -33.12 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' GLY . . . . . . . . . . . . . . . -55.33 -48.67 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.08 -14.92 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.83 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -106.91 -40.06 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . 0.423 ' N ' HD11 ' A' ' 188' ' ' LEU . . . 90.11 70.5 1.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.636 ' HB2' ' CD2' ' A' ' 177' ' ' LEU . 0.1 OUTLIER -114.4 -33.2 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' GLU . . . . . 0.752 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 11.7 pt-20 44.68 62.43 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.752 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 126.56 97.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' MET . . . . . 0.587 ' CE ' ' O ' ' A' ' 190' ' ' ARG . 15.1 mmt -151.79 155.24 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ASP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.0 OUTLIER -76.21 106.64 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.585 ' O ' ' O ' ' A' ' 173' ' ' GLY . 25.7 tt0 -107.85 107.25 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' HIS . . . . . 0.482 ' O ' ' OG1' ' A' ' 138' ' ' THR . 10.7 m-70 -97.76 121.96 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' VAL . . . . . 0.538 ' CG1' HD12 ' A' ' 135' ' ' LEU . 9.5 t -109.04 153.57 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' TYR . . . . . 0.906 ' CE1' ' HG ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -146.06 114.47 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' VAL . . . . . 0.47 ' CG1' ' CG2' ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.25 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.906 ' HG ' ' CE1' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -119.44 100.28 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -75.84 98.18 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ARG . . . . . 0.581 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.04 104.85 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 130' ' ' GLN . 31.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.26 84.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.3 p -131.66 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.759 ' ND2' HD12 ' A' ' 137' ' ' ILE . 3.9 m120 34.32 95.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -43.05 -40.79 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.612 ' OD2' HG21 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -63.26 -48.84 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.752 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.6 tm? -51.47 -64.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' SER . 4.4 pp0? -57.73 -26.59 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -73.3 -74.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.635 ' CD2' HG21 ' A' ' 197' ' ' VAL . 17.0 m-85 -43.86 -51.45 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CD1' HD22 ' A' ' 9' ' ' LEU . 13.1 m95 -58.25 -55.82 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.6 t -43.04 -34.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -89.05 -55.93 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -37.97 -63.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 51.9 t30 70.99 47.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 19' ' ' VAL . 69.8 t -48.3 167.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.147 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 10.9 p -58.98 143.41 83.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.566 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.07 96.68 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 0.46 13.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.147 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . . . -52.37 156.92 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.956 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 13.1 mmt85 -80.74 114.0 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.011 HG11 ' HG ' ' A' ' 38' ' ' LEU . 39.4 t -104.2 112.89 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 1.3 tp -90.59 150.84 21.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.987 HG22 ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -132.76 81.07 59.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 1.059 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.97 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.059 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 30.83 38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.987 ' SG ' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -115.64 -21.84 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -28.73 106.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -118.25 -79.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 164.53 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -70.99 -45.86 63.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' OD1' ' CG ' ' A' ' 104' ' ' TYR . 1.1 t70 -54.43 -58.64 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 36' ' ' SER . 2.4 ppp? -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 32' ' ' SER . 30.1 m -54.73 -28.15 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 13' ' ' TRP . 49.6 t90 -75.72 -57.0 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.011 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -47.63 -54.21 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -57.61 -50.63 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.35 -21.79 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -91.47 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 65.03 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE2' ' HZ3' ' A' ' 13' ' ' TRP . 11.1 m-85 -133.93 163.57 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.92 85.25 6.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.075 HG12 HD11 ' A' ' 82' ' ' ILE . 88.4 t -80.97 103.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 97' ' ' ILE . 1.2 p -134.87 112.6 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -155.62 -172.81 23.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.995 ' HB3' ' HB2' ' A' ' 89' ' ' PHE . . . -128.99 159.21 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.846 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.84 95.97 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.634 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.04 64.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.793 ' O ' HG13 ' A' ' 55' ' ' VAL . 47.0 t -152.85 107.16 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -70.42 -59.67 2.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.93 -33.32 17.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.668 ' HB2' ' OG ' ' A' ' 51' ' ' SER . . . -62.52 -58.35 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.793 HG13 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -47.59 -42.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 13.5 mt-10 -60.89 -44.01 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -60.96 -33.29 72.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 m-30 -75.19 -34.22 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 5.0 m-30 -75.7 -25.5 56.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -34.55 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.31 -39.93 59.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -90.5 -34.48 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.7 38.63 23.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.964 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.9 mt-10 75.64 151.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 161.89 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.96 -175.69 2.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.27 101.1 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.579 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 18.9 mm -95.37 126.0 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.496 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.31 150.13 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.5 p -106.72 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.54 85.32 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.38 -111.81 4.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.43 -7.59 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 5.5 m-85 -108.55 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.677 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 4.5 mttt -125.33 170.94 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 85' ' ' TRP . 91.4 t -143.47 96.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -105.75 100.97 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -100.08 150.46 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -117.01 159.48 40.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.05 12.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.7 -54.24 5.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.075 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -121.04 165.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -100.55 49.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.846 HD12 ' OE1' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -105.98 117.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.948 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.63 104.53 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -68.25 130.93 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.677 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 141.55 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.607 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -118.83 163.95 16.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.995 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -128.93 105.91 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER 176.2 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 179.16 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.36 -1.17 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.975 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 44.62 82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 1.05 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -57.46 -12.64 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.975 ' HG2' HG22 ' A' ' 93' ' ' THR . 20.7 ptt180 -80.02 -47.91 14.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 52.2 m-20 -63.82 -49.03 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -71.77 -43.17 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -55.34 -77.24 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.708 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.53 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.763 . . . . 0.0 109.564 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.78 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.3 p -146.64 136.76 23.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.956 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 148.42 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.983 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -176.5 179.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.789 ' CE1' ' HA3' ' A' ' 134' ' ' GLY . 3.1 p90 -162.42 132.7 4.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.69 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 23.7 t80 -92.08 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t0 -101.26 129.23 47.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.486 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 15.8 ttm180 -103.26 148.54 25.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -41.62 104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -130.68 -48.29 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.879 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -65.51 -25.55 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.804 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -69.26 -18.12 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.19 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.525 HD21 ' O ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -108.35 174.31 2.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.0 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -71.95 -64.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 m-20 -39.55 -60.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 21.3 tpp -55.93 -37.93 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.833 ' O ' HG13 ' A' ' 121' ' ' VAL . 5.1 mtp180 -59.33 -47.3 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.646 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.1 mt-10 -63.06 -39.96 96.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 1.8 mmt180 -70.47 -25.87 63.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.793 ' OH ' HD21 ' A' ' 28' ' ' LEU . 8.7 t80 -75.98 -56.34 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.833 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -57.49 -44.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 9.0 pt20 -63.99 -45.77 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 0.9 OUTLIER -60.0 -37.67 80.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.743 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.18 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.524 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -51.68 -22.13 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.66 -51.18 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -86.54 -0.92 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.743 ' CG ' HD13 ' A' ' 124' ' ' LEU . 4.6 mmt -65.66 173.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.708 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.0 Cg_endo -75.05 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 201' ' ' VAL . 42.5 mm-40 -109.23 -39.12 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.689 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -144.38 91.7 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -148.53 154.8 40.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.983 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -99.47 109.94 22.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.789 ' HA3' ' CE1' ' A' ' 103' ' ' PHE . . . -98.17 141.94 15.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.484 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -129.51 113.98 15.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.879 HD11 ' HE1' ' A' ' 109' ' ' MET . 0.6 OUTLIER -91.61 139.82 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.781 ' CD1' HG22 ' A' ' 195' ' ' VAL . 45.4 mm -122.78 101.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 24.8 p -105.37 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.53 ' CD1' ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -146.7 169.06 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 tm-20 -127.64 -78.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 3.2 m-85 -27.92 -85.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.712 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -27.02 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 1.2 pp0? 174.56 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -124.99 47.91 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.972 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -179.89 -31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.891 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -87.56 152.99 21.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.696 ' H ' HD23 ' A' ' 146' ' ' LEU . 22.1 mt-10 -63.62 102.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.18 1.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.3 Cg_endo -75.03 114.36 4.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.421 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 138.71 23.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.484 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -87.62 23.03 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.1 p 32.62 47.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 152' ' ' SER . 6.3 p -35.2 121.49 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.528 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.01 132.45 15.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 7.4 tm0? -50.06 -38.43 38.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -56.78 -44.23 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.722 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 27.5 t90 -63.32 -45.81 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.632 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -57.35 -41.16 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.3 t-80 -76.97 -17.32 58.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.753 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.82 -37.38 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.753 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.19 -58.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.65 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.65 6.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.661 ' H ' ' C ' ' A' ' 161' ' ' VAL . 30.1 t -104.34 103.47 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.44 55.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.645 ' O ' HG22 ' A' ' 201' ' ' VAL . 7.1 m-20 151.31 -21.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.65 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.71 133.62 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 107.968 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -81.1 93.96 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 198' ' ' LEU . 5.5 m -84.02 135.31 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.662 ' CG2' HG12 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -134.6 142.87 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.452 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -68.45 137.75 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -165.47 166.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.54 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 90.67 -160.46 27.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 168.9 -160.93 34.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 4.3 pt20 -111.92 -173.92 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 t70 71.09 11.64 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.482 ' OG1' ' CB ' ' A' ' 179' ' ' SER . 1.4 t -115.4 74.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.783 HD13 ' O ' ' A' ' 177' ' ' LEU . 1.4 tm? -86.82 -39.48 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -63.43 -44.22 95.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.482 ' CB ' ' OG1' ' A' ' 176' ' ' THR . 0.9 OUTLIER -54.42 -68.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.965 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 120.12 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 184' ' ' LEU . . . -69.37 -48.8 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -45.77 -26.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.979 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -68.21 -39.67 88.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.45 HD23 HD11 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -85.89 -15.28 42.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -49.82 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.574 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -83.93 -38.32 21.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 100.52 67.24 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.979 HD23 ' HA2' ' A' ' 183' ' ' GLY . 2.4 mm? -89.3 -33.49 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.6 pt-20 51.07 20.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.6 OUTLIER 148.47 100.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.594 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 4.6 ptt? -152.19 150.19 29.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 16.4 t0 -81.96 123.01 28.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' A' ' 173' ' ' GLY . 42.6 tt0 -110.22 114.67 28.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -92.11 151.08 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.781 HG22 ' CD1' ' A' ' 137' ' ' ILE . 41.0 t -140.43 150.26 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 20.8 m-85 -145.04 119.24 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.662 HG12 ' CG2' ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.78 111.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.826 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -112.45 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -87.61 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.537 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -65.78 106.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 165' ' ' ASN . 30.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.44 84.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -131.67 78.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 5' ' ' VAL . 5.1 m120 34.07 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -44.81 -40.35 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -62.54 -45.48 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.706 HD23 ' CE1' ' A' ' 104' ' ' TYR . 2.9 tm? -56.67 -65.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.06 -23.56 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' SER . 13.6 tp60 -73.27 -81.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.489 ' CG ' HG21 ' A' ' 197' ' ' VAL . 45.1 m-85 -44.08 -37.53 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.796 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 2.0 t-105 -70.15 -41.67 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.3 m -57.38 -36.54 71.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -45.63 10.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mt -43.42 -51.24 6.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 49.4 t30 70.6 36.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 19' ' ' VAL . 56.1 t -41.92 130.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.041 HG13 ' HB2' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -34.87 144.46 0.21 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 96.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.18 10.9 10.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.041 ' HB2' HG13 ' A' ' 19' ' ' VAL . . . -61.9 157.79 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.878 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 15.4 mmt85 -82.12 117.36 22.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.892 HG23 ' HA ' ' A' ' 45' ' ' VAL . 19.6 m -105.35 111.14 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.075 HD23 HD11 ' A' ' 97' ' ' ILE . 1.5 tm? -97.14 138.28 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.578 ' N ' HD13 ' A' ' 25' ' ' LEU . 30.8 m -137.41 105.45 8.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.936 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 143.42 29.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 22.48 52.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' PRO . 50.7 t -138.41 33.34 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . -65.06 112.15 4.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER 87.97 110.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.93 161.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 181' ' ' ALA . 5.3 mp0 -58.8 -41.66 87.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -52.51 -57.97 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.841 ' HG2' HG11 ' A' ' 45' ' ' VAL . 2.0 tmm? -53.15 -60.08 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -49.29 -33.45 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.666 ' HB2' HG21 ' A' ' 5' ' ' VAL . 31.8 t90 -72.84 -36.38 67.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 24' ' ' VAL . 86.3 mt -67.12 -66.85 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -37.76 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -24.27 76.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -84.53 -38.72 19.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.12 64.15 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -136.22 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.461 ' O ' HG12 ' A' ' 46' ' ' VAL . 20.8 m-70 -93.76 80.13 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.059 HG12 HD11 ' A' ' 82' ' ' ILE . 81.2 t -70.62 110.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.983 HG22 HD12 ' A' ' 97' ' ' ILE . 1.5 p -141.32 104.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.762 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -142.0 -172.55 13.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.09 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -131.71 164.08 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' GLY . 2.6 tm-20 -125.39 128.81 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -96.34 72.5 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 68.4 m -152.27 131.36 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -98.37 -44.46 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.27 90.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.76 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.684 HG13 ' CE2' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -64.22 -56.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' HG12 ' A' ' 55' ' ' VAL . 7.2 mm-40 -60.19 -40.99 91.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -37.37 87.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -63.51 -46.15 87.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CE2' HG13 ' A' ' 55' ' ' VAL . 4.1 m-30 -68.03 -31.17 70.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -36.78 59.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.64 -43.25 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -75.75 -35.38 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.66 38.26 17.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.1 mt-10 69.91 151.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 159.9 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 179.29 6.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.29 107.14 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.472 ' CG2' ' HD3' ' A' ' 75' ' ' LYS . 18.4 mm -97.67 128.12 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.516 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -130.38 158.28 40.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -123.21 109.2 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 1.2 pp0? -103.17 105.48 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.57 -106.14 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.6 33.01 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 19.7 m-85 -144.11 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.526 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -126.16 160.68 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.818 HG23 ' CB ' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.73 107.85 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.667 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -104.02 101.72 11.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.69 149.05 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -120.25 159.19 48.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.68 16.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.96 -52.22 5.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.059 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -124.91 168.23 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.706 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -103.94 53.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.6 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -109.37 118.42 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.09 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.91 100.21 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.509 ' SG ' HG23 ' A' ' 55' ' ' VAL . 3.9 t -70.52 142.38 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.542 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 134.0 -99.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.646 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 12.6 t70 -129.69 163.84 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.607 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 7.6 t80 -119.47 102.93 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 165.09 52.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.33 -41.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.083 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.27 178.13 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.71 ' O ' HG23 ' A' ' 97' ' ' ILE . 51.8 m -122.64 85.51 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.84 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -51.96 -15.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.2 ttt85 -73.49 -48.53 32.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -46.23 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.075 HD11 HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.91 -47.03 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -59.74 -72.42 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.691 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 57.9 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.568 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.772 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 96.6 m -139.99 136.43 33.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.006 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.58 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.796 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -169.57 -176.67 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -162.3 128.43 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 137' ' ' ILE . 7.1 t80 -95.69 121.17 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 1.064 ' HB2' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -101.64 139.3 37.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 3.1 ttm180 -108.8 158.68 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.635 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -52.86 99.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.89 -52.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.467 ' HA ' ' HG ' ' A' ' 112' ' ' LEU . 14.6 ptp -63.79 -32.86 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.574 HG22 ' CG1' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -58.47 -15.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.14 -59.18 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.64 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.96 169.68 1.46 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.62 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.02 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -51.83 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' ALA . 8.1 t0 -38.59 -52.31 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.64 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 30.6 tpp -62.2 -41.37 98.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.921 ' O ' HG13 ' A' ' 121' ' ' VAL . 47.0 mtm180 -56.67 -42.33 78.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.9 mt-10 -66.25 -45.14 81.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -67.49 -22.78 65.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.641 ' OH ' HD11 ' A' ' 28' ' ' LEU . 34.6 t80 -76.48 -50.27 14.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -61.68 -46.04 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.497 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 11.7 pt20 -61.63 -48.91 78.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.495 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 11.5 m170 -57.21 -38.73 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.652 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -66.69 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.5 OUTLIER -52.05 -19.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -74.67 -59.21 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.84 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -85.17 9.51 14.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.671 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.1 mmt -75.69 175.44 4.17 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.691 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -74.97 -167.18 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -46.62 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.647 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.9 101.33 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -153.9 160.78 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.733 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.81 107.88 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -86.54 144.67 19.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.779 ' HG ' HG22 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -141.52 98.72 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.064 HD12 ' HB2' ' A' ' 105' ' ' ASP . 2.1 tp -84.81 140.0 31.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.752 HD11 ' CE1' ' A' ' 104' ' ' TYR . 3.9 mp -118.92 114.79 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.915 ' C ' HD22 ' A' ' 139' ' ' LEU . 36.9 p -117.07 170.86 8.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.915 HD22 ' C ' ' A' ' 138' ' ' THR . 0.5 OUTLIER -132.76 167.95 19.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.3 mt-10 -123.38 -94.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.593 ' O ' ' C ' ' A' ' 142' ' ' ASP . 0.4 OUTLIER -22.25 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.759 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -24.76 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 144' ' ' ALA . 1.6 pt20 178.35 -29.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.71 49.78 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.995 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.42 -30.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 1.007 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.3 OUTLIER -93.03 126.81 38.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 1.007 ' N ' HD12 ' A' ' 146' ' ' LEU . 21.6 mt-10 -42.51 107.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.76 118.3 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -74.95 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.437 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -88.23 25.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.9 p 31.07 44.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.635 ' CG1' HG21 ' A' ' 138' ' ' THR . 9.9 p -36.86 122.43 0.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.506 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.03 164.81 32.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 16.5 tm0? -77.89 -32.69 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 154' ' ' PRO . 6.2 t -63.41 -38.6 91.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.628 ' CE2' HG11 ' A' ' 161' ' ' VAL . 73.6 t90 -63.72 -52.96 58.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.807 HD13 ' CD2' ' A' ' 196' ' ' TYR . 2.4 mt -54.65 -35.43 63.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.657 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.5 t60 -78.09 -21.14 50.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -83.1 -34.32 26.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.676 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.55 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.852 ' SD ' HD13 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -57.7 6.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 22.9 t -104.0 100.75 10.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.591 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 165.96 45.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 201' ' ' VAL . 3.1 m-20 149.17 -15.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 128.17 15.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 42.3 mm-40 -84.13 94.01 8.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.847 HG11 ' HB3' ' A' ' 162' ' ' MET . 2.4 m -70.92 130.86 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.611 HG22 ' HB ' ' A' ' 197' ' ' VAL . 0.4 OUTLIER -120.96 149.38 42.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.405 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.927 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -165.0 171.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 110.63 -173.19 15.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.06 156.46 27.23 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 3.3 pm0 -103.83 166.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.74 21.34 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 176' ' ' THR . 15.4 t -107.67 74.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.5 tm? -65.5 -45.11 84.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 178' ' ' HIS . 2.6 p80 -76.91 61.92 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -161.08 -43.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.453 ' CB ' ' HE3' ' A' ' 191' ' ' MET . 43.9 t -90.33 126.16 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . . . -65.14 -45.97 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.414 ' HG2' ' NH2' ' A' ' 106' ' ' ARG . 5.1 mtp180 -53.33 -19.29 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.817 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -73.02 -42.03 45.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -86.01 -14.36 44.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -51.48 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.662 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -84.28 -34.83 23.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.3 64.47 0.98 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.995 HD13 HD21 ' A' ' 145' ' ' LEU . 2.5 mm? -81.7 -37.46 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 54.17 15.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.57 ' H ' HD23 ' A' ' 177' ' ' LEU . 1.7 mtt180 158.39 102.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.453 ' HE3' ' CB ' ' A' ' 180' ' ' SER . 2.0 ptt? -163.34 155.02 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.447 ' OD2' ' CD ' ' A' ' 140' ' ' GLU . 12.1 t0 -85.88 129.49 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 173' ' ' GLY . 22.4 tt0 -113.01 114.63 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.473 ' CE1' ' OE2' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -96.67 155.19 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 24.3 t -147.49 158.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.807 ' CD2' HD13 ' A' ' 158' ' ' LEU . 23.5 m-85 -145.12 130.07 18.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.927 HG23 HG11 ' A' ' 171' ' ' VAL . 55.9 t -99.37 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.852 HD13 ' SD ' ' A' ' 162' ' ' MET . 0.1 OUTLIER -100.58 106.53 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.9 tt0 -76.17 104.15 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -69.79 101.73 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 165' ' ' ASN . 26.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 10.5 pt-20 -140.49 84.63 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 6' ' ' ASN . 2.7 p -131.7 133.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' VAL . 38.2 t30 -33.44 108.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -46.71 -33.48 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' TYR . 2.6 m-20 -67.72 -53.12 30.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.699 HD13 ' C ' ' A' ' 9' ' ' LEU . 2.0 tm? -49.93 -63.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.06 -31.46 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 8.5 tt0 -75.29 -75.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ASP . 35.0 m-85 -43.44 -41.47 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.052 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.8 t-105 -70.29 -42.99 71.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.4 m -54.74 -30.1 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.82 -51.87 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -38.48 -51.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.7 t-20 65.31 53.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG12 ' CB ' ' A' ' 22' ' ' ALA . 73.1 t -59.71 142.83 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.973 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.43 151.25 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 104.03 -3.5 44.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.001 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -37.64 154.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.901 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.7 mmt85 -82.45 120.46 25.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG11 ' HG ' ' A' ' 38' ' ' LEU . 22.2 t -107.16 114.04 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.856 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 1.8 tm? -96.58 141.12 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 29' ' ' CYS . 5.8 t -136.37 100.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.691 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.2 Cg_endo -75.06 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.974 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 23.98 90.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 29.1 t -141.08 -35.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.06 -100.04 2.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 145.86 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -169.93 -178.41 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 41.1 mm-40 -55.73 -23.76 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 35' ' ' MET . 0.9 OUTLIER -60.07 -58.34 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.525 ' HB3' HG11 ' A' ' 45' ' ' VAL . 3.4 mtm -63.8 -45.02 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -26.13 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.415 ' CE3' HD13 ' A' ' 38' ' ' LEU . 37.8 t90 -75.98 -48.32 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -52.11 -56.39 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.03 -47.0 86.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.74 -20.72 3.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -98.78 -23.93 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 101.32 59.17 0.8 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 12.5 m-85 -129.85 166.91 19.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -79.03 94.01 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.775 HG12 HD11 ' A' ' 82' ' ' ILE . 61.1 t -79.9 97.09 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.96 HG11 HD12 ' A' ' 97' ' ' ILE . 1.4 t -114.98 132.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -160.27 163.94 34.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -129.03 153.03 47.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -117.77 116.64 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.684 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -90.44 69.1 6.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.859 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 60.7 p -151.96 135.93 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -97.75 -46.55 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.95 97.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.859 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -65.17 -33.11 75.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.588 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -63.49 -53.21 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 55' ' ' VAL . 2.9 mm-40 -61.0 -42.19 97.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -64.62 -35.33 80.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -65.9 -45.02 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.708 ' CE2' HG21 ' A' ' 68' ' ' ILE . 5.0 m-30 -69.11 -31.68 70.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -37.96 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.08 -43.3 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -75.41 -37.13 60.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.12 29.82 30.04 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.3 mt-10 76.03 151.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.91 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.554 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.98 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 111.16 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.708 HG21 ' CE2' ' A' ' 59' ' ' PHE . 2.6 mm -106.1 133.71 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.755 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -130.65 153.54 48.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -108.41 99.36 8.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 2.3 mm-40 -88.54 85.19 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.51 -98.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.58 30.83 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.363 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 10.7 m-85 -145.36 173.14 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.529 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 9.2 tttt -131.09 158.23 40.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.755 ' CG1' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -142.15 110.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -111.06 101.75 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -102.19 146.81 27.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -115.99 155.82 47.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.51 21.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.58 -52.4 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -123.08 172.06 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.597 ' N ' HD13 ' A' ' 82' ' ' ILE . 3.2 tt0 -104.6 51.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -109.42 128.47 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -113.49 106.78 14.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.548 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.9 t -74.38 145.13 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.568 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 129.32 -98.19 0.43 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -131.46 163.52 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -117.57 91.1 3.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER 179.48 56.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . 179.1 39.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -136.82 -30.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 1.0 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.8 OUTLIER 71.59 78.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.972 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -54.67 -18.06 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.94 -47.66 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 95' ' ' ARG . 12.7 t0 -60.3 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.96 HD12 HG11 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -68.61 -49.63 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -44.89 -74.02 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.763 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 26.1 t-80 52.28 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.753 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 71.2 m -138.49 135.47 35.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.001 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.12 -109.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.052 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -172.4 -172.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 2.5 p90 -166.11 143.35 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.638 ' HB3' HG22 ' A' ' 26' ' ' VAL . 26.2 t80 -106.73 119.19 38.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' CB ' ' HG ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -105.97 140.33 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 182' ' ' ARG . 8.3 tmm_? -110.07 170.46 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.662 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -60.95 101.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.09 -48.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.788 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -66.39 -22.5 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.662 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -70.78 -18.07 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.02 46.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.855 HD23 ' HG2' ' A' ' 116' ' ' MET . 4.1 mp -110.85 165.99 11.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 0.9 OUTLIER -39.93 -60.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.855 ' HG2' HD23 ' A' ' 112' ' ' LEU . 8.8 tpp -57.89 -44.57 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.711 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 8.9 mtp180 -52.29 -41.55 63.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.56 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.3 mt-10 -71.46 -37.05 71.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.542 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -69.79 -23.35 63.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.663 ' OH ' HD21 ' A' ' 28' ' ' LEU . 6.0 t80 -81.04 -53.52 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.692 HG21 HG22 ' A' ' 161' ' ' VAL . 7.9 m -62.27 -32.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.537 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.7 pt20 -76.04 -48.36 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 28.7 m170 -58.25 -35.81 72.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.75 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.5 OUTLIER -69.76 -64.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -49.85 -22.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.42 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.972 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -81.53 3.12 26.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.75 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.9 mmt -71.15 174.45 3.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.763 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.02 -156.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.3 OUTLIER -117.96 -36.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.678 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.32 86.81 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 129' ' ' PRO . 10.5 m -151.59 145.13 24.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.778 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -92.12 123.37 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.714 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -101.25 142.95 15.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.483 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -130.1 100.06 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.878 HD12 ' HE1' ' A' ' 162' ' ' MET . 0.6 OUTLIER -86.34 136.35 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 136' ' ' LEU . 8.0 mm -123.9 110.19 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.454 HG23 HD22 ' A' ' 136' ' ' LEU . 11.8 p -110.52 178.47 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 1.018 HD21 ' CG ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -139.44 168.5 19.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -132.04 -85.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.507 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -28.89 -73.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 1.003 ' CG ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -35.04 142.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER 164.25 -25.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -111.93 36.86 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.942 HD21 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.56 -30.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -76.25 119.3 19.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.863 ' N ' HD12 ' A' ' 146' ' ' LEU . 20.4 mm-40 -39.63 107.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.512 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 89.03 128.49 3.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 1.018 ' CG ' HD21 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.99 149.95 37.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -101.9 23.0 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 151' ' ' PHE . 23.4 p 29.98 51.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 110' ' ' ILE . 9.8 p -34.94 123.19 0.57 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -74.97 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.494 ' HG3' ' CD2' ' A' ' 196' ' ' TYR . 1.5 mp0 -36.69 -48.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -47.38 -42.08 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.711 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.5 t90 -59.76 -46.02 90.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -55.49 -45.0 77.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' A' ' 163' ' ' SER . 70.4 t60 -73.35 -17.32 61.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -81.98 -38.33 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.701 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.18 -56.85 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.878 ' HE1' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.9 6.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 9.1 t -108.13 100.02 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 165' ' ' ASN . . . 159.94 47.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.671 ' OD1' ' CD1' ' A' ' 166' ' ' TRP . 7.1 p30 154.75 -18.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.741 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.56 125.0 13.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.0 mt-10 -75.61 91.64 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 198' ' ' LEU . 4.1 m -71.46 128.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.764 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -121.34 120.98 36.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.608 ' C ' HG12 ' A' ' 171' ' ' VAL . 19.9 mttt -57.11 143.83 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.764 HG12 ' O ' ' A' ' 169' ' ' THR . 0.2 OUTLIER -174.58 166.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 96.18 -157.0 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 165.82 -133.09 2.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 21.5 pt20 -131.03 175.68 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 4.5 m-20 78.34 0.59 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.707 ' O ' HG23 ' A' ' 176' ' ' THR . 12.5 t -116.47 74.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.64 -38.54 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.826 ' HA ' HD21 ' A' ' 184' ' ' LEU . 1.6 m-70 -57.55 -23.53 51.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -55.41 -61.4 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.2 p -76.02 149.6 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -85.84 -49.59 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 27.7 mmt-85 -39.8 -29.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.857 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -68.35 -63.91 3.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.826 HD21 ' HA ' ' A' ' 178' ' ' HIS . 2.4 mm? -56.01 -18.51 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -39.58 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.607 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . . . -82.93 -39.75 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 102.83 58.58 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.942 ' CD1' HD21 ' A' ' 145' ' ' LEU . 2.7 mm? -84.93 -52.66 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.462 ' C ' ' HG2' ' A' ' 190' ' ' ARG . 13.3 mm-40 67.98 5.02 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HG2' ' C ' ' A' ' 189' ' ' GLU . 5.9 ptm180 162.46 115.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.461 ' SD ' ' CG ' ' A' ' 142' ' ' ASP . 0.3 OUTLIER -166.47 155.19 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 m-20 -74.61 123.61 25.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 173' ' ' GLY . 18.6 tt0 -118.62 122.19 41.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -92.75 150.92 20.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.618 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 171' ' ' VAL . 44.4 t -138.56 149.28 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.766 ' O ' HD23 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -149.2 114.58 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.614 HG23 HG11 ' A' ' 171' ' ' VAL . 61.8 t -87.53 97.23 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.826 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -98.57 107.55 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.99 101.8 6.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.477 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -65.63 103.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 165' ' ' ASN . 34.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 3.5 pt-20 -140.13 84.8 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.903 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.8 p -131.52 78.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER 35.81 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 2.2 pptp? -44.22 -38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.475 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 7.1 m-20 -65.78 -54.73 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.7 tm? -46.75 -65.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.4 pt20 -56.3 -35.03 67.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 23.6 tt0 -68.0 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.809 ' CE2' HG21 ' A' ' 171' ' ' VAL . 64.4 m-85 -43.7 -54.65 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.012 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.3 t-105 -49.84 -59.03 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.033 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 10.8 t -43.99 -37.84 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.69 -47.31 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.515 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -41.43 -49.53 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 t30 55.35 60.51 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.0 p -79.95 153.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.999 HG13 ' HB2' ' A' ' 22' ' ' ALA . 3.3 p -33.54 142.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 109.36 -5.52 31.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.046 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -38.58 156.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.89 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 13.6 mmt85 -83.54 121.11 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.775 HG11 ' HG ' ' A' ' 38' ' ' LEU . 79.9 t -106.75 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 ' N ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -95.38 141.44 28.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.866 HG12 ' HB3' ' A' ' 104' ' ' TYR . 34.8 m -140.01 104.48 6.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.781 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 139.84 24.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.34 48.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -109.55 -31.44 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.59 ' C ' ' HE1' ' A' ' 35' ' ' MET . . . 65.32 -113.81 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' N ' ' HE1' ' A' ' 35' ' ' MET . 0.1 OUTLIER -129.65 150.81 50.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -174.77 -176.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -59.97 -45.08 93.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 5' ' ' VAL . 2.3 m-20 -50.68 -57.91 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.59 ' HE1' ' C ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -52.09 -52.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -58.21 -24.91 60.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.903 ' HB2' HG21 ' A' ' 5' ' ' VAL . 14.3 t90 -78.85 -32.53 46.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 108.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.775 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -71.03 -56.84 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -42.45 98.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.77 -27.47 61.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' OE1' ' CH2' ' A' ' 37' ' ' TRP . 1.8 mm-40 -83.52 -38.84 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.96 53.95 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.454 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 8.3 m-85 -124.98 166.95 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -84.8 86.53 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.615 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 82' ' ' ILE . 60.8 t -73.0 116.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.861 HG21 HG13 ' A' ' 97' ' ' ILE . 1.6 p -143.69 141.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.797 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -177.78 -174.83 44.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.023 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -131.14 162.39 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -124.09 127.49 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -95.77 70.11 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.683 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.43 132.91 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -98.46 -43.71 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.43 87.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -60.44 -35.11 75.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.88 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.8 t -62.76 -54.04 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -65.87 -33.18 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -69.9 -39.55 76.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.88 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.7 m-30 -72.14 -32.87 67.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -42.42 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.48 -48.07 79.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -76.21 -37.46 57.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 81.86 32.09 30.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.4 mt-10 82.6 151.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.21 -49.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.95 -169.39 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.61 111.05 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 7.3 mm -95.12 131.03 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -127.11 144.29 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -117.18 91.39 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.633 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -93.83 96.87 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.99 -110.77 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -109.5 12.51 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 22.0 m-30 -120.33 148.12 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.726 ' HD2' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -103.87 156.91 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.866 HG13 ' HB2' ' A' ' 85' ' ' TRP . 26.1 t -139.15 98.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.692 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.3 t80 -100.4 101.25 12.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.75 134.18 42.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.42 155.8 39.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.23 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.61 -56.44 0.72 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -107.87 159.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.625 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -102.3 49.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.626 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -100.95 120.13 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.023 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.62 103.29 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 108.044 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.53 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.1 t -73.69 140.79 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.24 -98.93 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.651 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -134.49 163.35 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.735 ' CZ ' HD21 ' A' ' 127' ' ' LEU . 13.2 t80 -113.22 107.73 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 164.29 42.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.633 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . . . -136.35 -42.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.095 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -80.91 -172.44 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.754 ' O ' HG22 ' A' ' 97' ' ' ILE . 2.7 m -142.79 93.7 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.877 ' HB3' ' CD1' ' A' ' 127' ' ' LEU . . . -49.08 -15.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.9 ttt180 -68.24 -55.96 10.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -69.11 -55.68 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.954 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.0 -57.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.694 ' N ' HD13 ' A' ' 97' ' ' ILE . . . -55.84 -73.31 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.631 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 59.25 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.575 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.769 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 18.0 t -143.23 134.81 26.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.046 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.58 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.012 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.4 -179.85 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -157.5 121.07 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.866 ' HB3' HG12 ' A' ' 26' ' ' VAL . 52.9 t80 -90.12 114.78 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.918 ' CB ' HD12 ' A' ' 136' ' ' LEU . 3.5 t0 -101.76 127.39 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -101.24 159.03 15.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.78 ' HB1' HD21 ' A' ' 139' ' ' LEU . . . -49.28 107.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -140.02 -56.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.82 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.81 -17.67 64.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -69.35 -17.54 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.493 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -83.13 -54.79 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.91 169.98 2.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.529 1.804 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 117' ' ' ARG . . . -76.07 -65.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 114' ' ' ALA . 4.0 m-20 -39.43 -62.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.515 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 5.8 tpt -52.67 -46.22 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.671 ' O ' HG13 ' A' ' 121' ' ' VAL . 1.9 mtp180 -51.2 -60.48 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.548 ' HG2' HG21 ' A' ' 161' ' ' VAL . 6.4 mt-10 -49.15 -44.72 42.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 9.7 mmt180 -66.52 -25.17 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 5.2 t80 -79.05 -48.75 13.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.0 OUTLIER -66.07 -39.1 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 1.6 pt20 -67.4 -50.58 58.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.545 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 2.3 m-70 -61.6 -39.42 91.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.733 HD13 ' SD ' ' A' ' 128' ' ' MET . 0.7 OUTLIER -64.41 -64.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.61 ' HB3' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -53.76 -22.14 8.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -69.2 -60.94 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.877 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -73.58 -11.09 60.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.733 ' SD ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.01 176.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.631 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.01 -154.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 201' ' ' VAL . 15.0 mm100 -117.32 -38.39 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.634 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.51 88.92 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 13.7 m -149.69 147.52 28.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.796 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -91.05 118.59 30.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -97.69 149.6 19.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.961 HD13 HG22 ' A' ' 197' ' ' VAL . 9.8 tp -140.23 99.17 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.918 HD12 ' CB ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -86.32 142.83 28.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.708 HD12 HG22 ' A' ' 195' ' ' VAL . 8.5 mm -125.67 105.6 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.99 ' C ' HD13 ' A' ' 139' ' ' LEU . 80.8 p -104.35 176.52 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.99 HD13 ' C ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -150.82 171.42 17.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -131.77 -74.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -25.18 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.736 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -25.38 135.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.488 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 16.0 pt20 174.58 -31.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.39 47.37 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.982 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.63 -30.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.866 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.7 OUTLIER -90.56 148.13 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.707 ' H ' HD23 ' A' ' 146' ' ' LEU . 8.5 pt-20 -66.91 102.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.33 129.13 4.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.32 5.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.474 ' CG ' ' O ' ' A' ' 142' ' ' ASP . 18.3 Cg_endo -75.03 133.89 17.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . 6.1 m-85 -87.95 14.64 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.481 ' O ' ' OG ' ' A' ' 152' ' ' SER . 3.8 p 37.0 60.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.478 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -43.65 118.24 2.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -75.03 121.33 6.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.733 ' CG ' ' CE1' ' A' ' 196' ' ' TYR . 2.3 mp0 -37.2 -39.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 157' ' ' TRP . 0.8 OUTLIER -58.36 -47.52 83.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.638 ' O ' ' HG2' ' A' ' 160' ' ' ARG . 60.3 t90 -53.68 -53.98 44.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.783 HD23 ' CG ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -50.94 -40.8 58.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.644 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -73.23 -18.37 61.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.655 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -83.16 -37.67 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.689 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.06 -60.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.783 ' CG ' HD23 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -57.2 6.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.689 ' H ' ' C ' ' A' ' 161' ' ' VAL . 28.8 t -98.04 101.63 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.596 ' O ' ' ND2' ' A' ' 165' ' ' ASN . . . 142.72 62.57 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 150.43 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.628 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.69 127.79 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.3 95.16 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.655 HG12 HD23 ' A' ' 198' ' ' LEU . 31.7 m -77.56 136.85 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.652 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -130.86 136.75 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -66.52 126.25 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.809 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -156.0 165.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 60.52 -155.93 31.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 134.26 -67.62 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 176' ' ' THR . 8.3 tt0 -35.98 144.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' ASP . . . . . 0.568 ' HA ' ' O ' ' A' ' 191' ' ' MET . 4.8 p-10 -67.69 61.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 176' ' ' THR . 3.7 t -80.41 73.37 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -53.53 -20.38 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.426 ' HG ' ' CG ' ' A' ' 6' ' ' ASN . 15.0 t -73.24 -73.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.75 136.85 41.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -72.18 -29.79 64.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -24.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -67.41 -54.35 20.32 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.593 ' N ' HD22 ' A' ' 184' ' ' LEU . 2.0 mm? -72.94 -14.9 61.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.739 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -69.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.719 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.48 68.74 1.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.982 HD13 HD21 ' A' ' 145' ' ' LEU . 3.1 mm? -86.4 -52.18 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 77.99 -4.43 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 1.3 mtt180 158.76 103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.2 OUTLIER -149.04 142.07 24.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.3 OUTLIER -59.26 128.8 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -130.92 121.73 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.93 155.35 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.62 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.708 HG22 HD12 ' A' ' 137' ' ' ILE . 24.1 t -132.48 152.16 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.733 ' CE1' ' CG ' ' A' ' 155' ' ' GLN . 0.0 OUTLIER -145.25 118.93 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.961 HG22 HD13 ' A' ' 135' ' ' LEU . 41.5 t -85.43 106.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.756 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -105.64 102.77 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.92 98.07 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.2 100.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' ASN . 28.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.53 84.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.7 p -131.81 78.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.1 m-80 33.67 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -45.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 12' ' ' TYR . 1.7 m-20 -62.83 -46.46 87.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.761 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.5 tm? -50.96 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 14' ' ' SER . 20.4 pt20 -57.33 -33.82 68.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 1.7 tp60 -67.91 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.687 ' CE2' HG21 ' A' ' 171' ' ' VAL . 47.0 m-85 -44.13 -54.75 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.737 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.68 -55.46 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.1 m -48.23 -36.2 13.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -82.24 -50.85 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -38.6 -43.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.2 t-20 64.17 50.57 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 22' ' ' ALA . 58.0 t -61.05 137.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.972 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -43.31 148.96 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 102.84 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 112.54 -9.88 26.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.972 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.17 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.902 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 14.6 mmt85 -78.47 116.51 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.055 HG11 HD13 ' A' ' 38' ' ' LEU . 54.5 t -99.4 97.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 26' ' ' VAL . 1.5 tm? -81.33 152.86 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.863 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -162.15 124.14 1.67 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 1.011 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 -64.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.011 HD13 ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -144.36 65.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' CD1' ' A' ' 104' ' ' TYR . 34.7 t -112.24 -7.29 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -31.23 94.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mtpm? -119.33 -102.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.5 OUTLIER 178.64 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' HA ' ' HG ' ' A' ' 36' ' ' SER . 15.8 mm-40 -75.45 -51.28 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' HA ' HG23 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -51.45 -58.04 7.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.423 ' CG ' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -60.14 -61.53 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.516 ' HG ' ' HA ' ' A' ' 33' ' ' GLN . 94.7 p -44.45 -31.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.4 ' HD1' HG11 ' A' ' 5' ' ' VAL . 26.9 t90 -71.68 -49.78 36.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.055 HD13 HG11 ' A' ' 24' ' ' VAL . 19.6 mt -62.07 -66.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -45.52 -47.09 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.24 -24.69 45.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LEU . 18.3 mm-40 -91.9 -23.94 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 0.788 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.5 72.29 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -137.59 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.05 82.4 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 82' ' ' ILE . 58.3 t -75.7 106.67 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 83' ' ' GLU . 1.8 p -139.62 110.68 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.863 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -156.12 179.29 32.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.956 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -114.18 169.0 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -126.78 99.97 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.863 HD23 ' HB3' ' A' ' 28' ' ' LEU . 3.0 mm? -68.18 72.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.746 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.2 128.2 10.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.44 -53.49 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.71 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -70.67 -37.52 73.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -58.67 -49.3 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.24 -46.54 86.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.83 -36.28 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.443 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -66.6 -46.88 74.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.626 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 4.4 m-30 -68.11 -24.67 65.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -36.53 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.21 -39.55 68.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -35.11 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.61 32.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.2 mt-10 75.31 148.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER 161.31 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.03 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.8 113.59 25.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 39.3 mm -106.39 120.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.765 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -122.74 150.6 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -109.59 108.9 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 85.56 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.28 -89.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 33.1 t70 -118.19 32.03 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 18.8 m-85 -144.91 173.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -132.43 156.72 46.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.765 HG13 HG22 ' A' ' 69' ' ' THR . 1.5 m -142.47 112.35 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.689 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.51 106.27 15.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.18 132.08 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.45 156.17 35.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.04 2.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.67 -55.08 0.73 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.865 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.9 164.62 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.599 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -106.45 51.73 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.55 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.54 112.58 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.956 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -102.01 105.52 16.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.571 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.4 t -74.43 139.55 44.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.583 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 137.27 -110.45 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.641 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -123.88 164.15 19.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.714 ' CB ' HD21 ' A' ' 50' ' ' LEU . 12.1 t80 -104.0 107.4 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 163.91 37.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.87 7.16 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.74 165.65 25.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -113.04 91.98 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.676 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -46.44 -19.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -84.5 -51.76 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 76.6 m-20 -55.98 -48.73 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.055 HD13 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -81.06 -33.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 1.055 ' N ' HD13 ' A' ' 97' ' ' ILE . . . -56.14 -78.1 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.645 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.32 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.629 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.811 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 10.4 t -147.85 141.86 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 108.347 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.97 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.69 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.737 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -158.39 167.78 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.666 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -149.16 113.18 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.713 ' CZ ' HD13 ' A' ' 137' ' ' ILE . 25.1 t80 -91.25 137.8 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.468 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 11.8 t0 -126.16 144.7 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 5.6 tpp180 -105.05 154.71 19.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.857 ' HB2' ' HA ' ' A' ' 138' ' ' THR . . . -46.1 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.94 -40.96 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.872 ' CE ' HD11 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -65.82 -30.23 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.706 HG21 ' HB ' ' A' ' 138' ' ' THR . 0.1 OUTLIER -70.36 -10.17 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.409 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -102.0 -35.24 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.863 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.2 mp -89.55 162.76 35.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.624 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.03 -155.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 -68.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 10.5 t70 -40.17 -60.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.863 ' HG2' HD23 ' A' ' 112' ' ' LEU . 9.9 tpp -50.85 -46.99 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.624 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 0.0 OUTLIER -52.81 -60.84 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.673 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.6 mt-10 -48.29 -38.83 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -72.67 -25.23 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.624 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 1.2 t80 -78.29 -53.26 7.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.633 HG21 HG22 ' A' ' 161' ' ' VAL . 1.4 m -61.72 -41.6 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 11.3 pt20 -66.09 -48.41 71.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 54.1 m170 -60.78 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.71 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.45 -60.55 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -55.29 -22.35 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.51 -62.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -87.31 25.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.679 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -92.09 177.23 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.679 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 8.5 pt20 -112.56 -46.82 3.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.811 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.36 100.93 4.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -156.49 160.13 39.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.436 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -101.45 108.0 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.527 ' CA ' ' CD2' ' A' ' 103' ' ' PHE . . . -85.21 139.37 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.938 HD13 HG22 ' A' ' 197' ' ' VAL . 12.0 tp -133.65 98.67 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.631 ' HB2' HD21 ' A' ' 198' ' ' LEU . 0.4 OUTLIER -86.1 134.52 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.713 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 3.6 mp -120.23 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.857 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 23.4 p -139.52 -179.92 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.936 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -146.54 174.35 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.497 ' CG ' ' HB2' ' A' ' 192' ' ' ASP . 4.1 pt-20 -130.07 -61.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.637 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.9 OUTLIER -37.17 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.76 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -29.39 146.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.512 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER 162.82 -21.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -133.37 47.62 2.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.955 ' C ' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 176.96 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -87.54 158.89 18.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.581 ' H ' HD23 ' A' ' 146' ' ' LEU . 3.6 mm-40 -73.41 105.83 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.15 124.73 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -75.02 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.504 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 127.61 10.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.55 18.77 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 153' ' ' VAL . 7.9 p 40.88 52.81 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.531 HG11 ' HG3' ' A' ' 109' ' ' MET . 7.9 p -37.44 119.2 0.87 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.511 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.93 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.5 tm0? -36.92 -47.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -45.15 -45.37 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.728 ' CZ2' HG11 ' A' ' 161' ' ' VAL . 63.3 t90 -57.39 -52.19 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.872 HD11 ' CE ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -51.37 -42.24 61.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.584 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.5 t60 -74.1 -17.89 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.848 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -81.83 -39.48 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.848 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -113.43 -56.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.899 ' HB3' HG11 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -57.77 6.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 33.2 t -104.75 96.96 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 169.27 46.35 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.715 ' O ' HG22 ' A' ' 201' ' ' VAL . 12.7 m-20 149.53 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.41 128.93 17.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.518 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 10.9 mt-10 -82.85 91.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.899 HG11 ' HB3' ' A' ' 162' ' ' MET . 2.4 m -70.76 126.19 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -117.25 152.02 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.41 ' HB3' ' NE2' ' A' ' 155' ' ' GLN . 7.8 pttt -83.04 133.93 35.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.918 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -161.07 169.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.13 -164.26 13.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 179.62 -163.41 30.7 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 7.4 pm0 -116.76 -177.69 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 59.32 14.62 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 176' ' ' THR . 8.9 t -116.52 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 1.028 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -89.68 -37.4 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.475 ' HA ' HD11 ' A' ' 184' ' ' LEU . 18.6 m80 -57.79 -44.82 86.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 178' ' ' HIS . 24.8 p -38.31 -68.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t -73.21 119.59 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 182' ' ' ARG . . . -59.84 -51.66 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 181' ' ' ALA . 27.8 mtt180 -38.07 -45.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -54.47 -62.68 5.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' A' ' 178' ' ' HIS . 3.7 mt -51.68 -34.89 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.12 74.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.801 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -73.92 -40.09 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.61 77.77 1.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.918 ' CD2' HD11 ' A' ' 145' ' ' LEU . 1.6 mp -111.74 -21.28 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 177' ' ' LEU . 14.7 pt-20 36.14 30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 161.25 100.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.936 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.1 OUTLIER -156.43 144.62 19.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 2.3 m-20 -81.42 125.39 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' A' ' 176' ' ' THR . 0.5 OUTLIER -115.78 128.76 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.2 OUTLIER -112.45 122.92 49.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.559 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.587 HG22 HG13 ' A' ' 137' ' ' ILE . 31.6 t -114.06 164.78 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.619 ' O ' HD12 ' A' ' 135' ' ' LEU . 20.3 m-85 -147.34 139.15 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.938 HG22 HD13 ' A' ' 135' ' ' LEU . 54.2 t -106.4 98.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.881 HD13 ' SD ' ' A' ' 162' ' ' MET . 0.1 OUTLIER -99.02 106.74 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.5 tt0 -76.16 103.27 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 2.9 ttm-85 -69.37 100.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 165' ' ' ASN . 29.9 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -138.95 84.79 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.1 p -131.7 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 35.03 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -38.5 -45.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' TYR . 4.1 m-20 -60.15 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.859 HD23 ' CE1' ' A' ' 104' ' ' TYR . 2.7 tm? -45.06 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.32 -35.91 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -70.03 -74.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.669 ' CE2' HG13 ' A' ' 171' ' ' VAL . 42.4 m-85 -44.22 -54.52 5.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.899 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 5.1 t-105 -53.11 -55.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.7 m -46.03 -34.47 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -84.14 -52.7 6.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.569 HD21 ' OG ' ' A' ' 133' ' ' SER . 0.4 OUTLIER -38.46 -63.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 64.93 52.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 19' ' ' VAL . 14.8 p -67.12 155.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.005 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.7 p -32.35 140.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 110.62 3.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.42 -4.84 37.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.007 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -41.4 159.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.915 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.8 mmt85 -78.58 123.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 HD23 ' A' ' 38' ' ' LEU . 55.5 t -105.02 102.67 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 3.5 tm? -90.2 137.01 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.991 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -136.32 94.34 13.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.956 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 29.88 40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -117.94 -15.02 10.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -29.59 97.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -104.47 -98.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -178.44 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -77.51 -48.12 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.951 ' O ' HD22 ' A' ' 38' ' ' LEU . 8.7 p-10 -53.23 -45.96 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.571 ' HB2' HG11 ' A' ' 45' ' ' VAL . 18.9 ptm -76.62 -50.17 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 32' ' ' SER . 25.7 t -50.23 -33.9 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.944 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CE3' HD12 ' A' ' 38' ' ' LEU . 17.2 t90 -77.67 -55.37 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -46.89 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.475 ' H ' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -60.39 -52.56 64.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.24 -17.78 5.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 37' ' ' TRP . 4.5 tp-100 -92.39 -32.68 14.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.11 60.99 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.424 ' HE2' HG13 ' A' ' 18' ' ' VAL . 28.2 m-85 -139.25 165.87 26.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.459 ' O ' HG12 ' A' ' 46' ' ' VAL . 2.3 t-80 -87.13 80.28 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.576 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.063 HG12 HD11 ' A' ' 82' ' ' ILE . 78.9 t -72.35 115.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.676 ' CG1' HD13 ' A' ' 97' ' ' ILE . 1.2 p -148.96 107.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.991 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -147.64 -173.09 18.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.12 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.38 166.26 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -128.18 134.83 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -101.37 74.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.798 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -152.07 133.03 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -98.25 -49.52 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.24 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.798 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -69.08 -34.23 74.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.624 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.34 -51.21 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' N ' HG12 ' A' ' 55' ' ' VAL . 4.4 mm-40 -60.02 -42.91 95.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.72 82.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -66.29 -42.99 87.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 2.6 m-30 -71.76 -26.14 62.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -40.46 34.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.1 -44.14 69.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -77.27 -37.12 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.52 37.12 24.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 16.9 mt-10 73.08 149.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 165.5 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -74.97 -173.51 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 114.09 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.4 mm -100.26 130.22 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.501 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -128.72 153.43 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.7 m -100.71 134.0 44.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -142.26 85.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.42 -114.38 5.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.04 24.99 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 87.7 m-85 -140.52 173.41 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.672 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 tttt -126.44 176.23 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.989 HG13 ' HB2' ' A' ' 85' ' ' TRP . 70.6 t -142.37 102.64 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -108.52 101.57 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -110.23 141.33 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -107.19 167.31 9.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.3 Cg_endo -74.96 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.75 -54.12 40.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.063 HD11 HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -115.24 148.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.907 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.14 56.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.897 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -108.85 112.32 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.12 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -100.01 99.54 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.8 t -72.87 140.45 47.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.672 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.49 -100.69 0.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.621 ' HB3' ' CB ' ' A' ' 74' ' ' PHE . 3.6 p-10 -118.74 164.06 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 5.6 t80 -127.01 96.19 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.67 58.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.9 -42.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.055 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -79.18 -175.84 4.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 97' ' ' ILE . 4.4 m -125.3 86.73 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 1.036 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -53.04 -13.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.98 -56.62 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 15.6 m-20 -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.794 HG23 ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -80.8 -34.44 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.501 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -74.17 -76.66 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER 66.68 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.593 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.778 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -148.15 144.05 27.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.007 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.75 -111.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.899 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -167.04 172.31 10.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.663 ' N ' HH22 ' A' ' 200' ' ' ARG . 0.1 OUTLIER -151.7 152.13 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.859 ' CE1' HD23 ' A' ' 9' ' ' LEU . 3.1 t80 -115.55 117.73 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.834 ' CB ' HD12 ' A' ' 136' ' ' LEU . 2.0 t0 -101.71 141.04 35.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -111.65 172.36 6.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.667 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -61.45 88.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -121.45 -49.79 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.61 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.09 -31.36 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.801 HG22 HG12 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -63.96 -11.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.444 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -88.72 -62.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.69 167.85 5.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -73.41 -66.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.3 m-20 -39.47 -63.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.568 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 31.2 tpp -51.96 -46.79 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.897 ' O ' HG13 ' A' ' 121' ' ' VAL . 8.3 mtm180 -54.83 -37.58 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.3 mt-10 -66.32 -48.69 69.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -67.96 -20.16 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.438 ' CG ' HD11 ' A' ' 112' ' ' LEU . 1.6 t80 -75.63 -52.44 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -62.54 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -60.25 -50.2 74.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 8.5 m80 -55.24 -39.72 70.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.555 ' O ' ' HG2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -62.26 -64.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.655 ' HG3' ' CE2' ' A' ' 166' ' ' TRP . 13.6 mm-40 -53.33 -19.13 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -73.04 -57.66 3.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.036 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -87.71 2.62 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.713 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.5 mmt -65.72 177.09 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER 171.69 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.704 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -125.28 83.03 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 100' ' ' CYS . 4.7 m -148.84 165.35 31.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.684 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -111.19 108.68 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.613 ' N ' HH21 ' A' ' 200' ' ' ARG . . . -88.52 153.01 23.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.533 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.5 OUTLIER -139.1 99.44 3.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.854 HD23 HG23 ' A' ' 138' ' ' THR . 0.3 OUTLIER -82.78 135.28 35.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.754 HG13 HG22 ' A' ' 195' ' ' VAL . 3.5 mp -125.86 94.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.933 ' O ' HD13 ' A' ' 139' ' ' LEU . 32.4 p -103.83 172.16 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.933 HD13 ' O ' ' A' ' 138' ' ' THR . 0.1 OUTLIER -129.5 174.56 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -132.77 -73.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 142' ' ' ASP . 49.3 t80 -35.07 -71.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.738 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.4 138.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 1.6 pp0? 173.63 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -125.06 48.47 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.982 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.905 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.6 OUTLIER -88.9 151.22 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.735 ' H ' HD23 ' A' ' 146' ' ' LEU . 28.3 mm-40 -59.7 101.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.97 137.56 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.02 131.43 14.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.467 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -84.13 16.46 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.5 p 35.68 51.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.801 HG12 HG22 ' A' ' 110' ' ' ILE . 11.2 p -35.75 117.98 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.519 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.99 133.45 16.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.598 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.9 tt0 -46.22 -48.13 17.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.0 OUTLIER -43.93 -44.46 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.709 ' HE3' HD12 ' A' ' 158' ' ' LEU . 76.4 t90 -58.38 -52.38 65.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.709 HD12 ' HE3' ' A' ' 157' ' ' TRP . 1.6 mp -52.75 -35.83 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.65 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.8 OUTLIER -79.57 -18.24 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.767 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.73 -38.54 23.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.767 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -114.16 -57.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.678 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -59.92 6.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 12.3 t -93.58 107.18 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.84 59.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.1 m-20 147.6 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.93 133.37 20.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.983 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 mt-10 -93.9 100.91 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.836 HG12 HD23 ' A' ' 198' ' ' LEU . 26.7 m -74.86 130.08 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -120.33 141.3 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.473 ' C ' HG23 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -59.41 131.95 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.918 HG21 HG23 ' A' ' 197' ' ' VAL . 98.6 t -155.8 170.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.587 ' N ' HG12 ' A' ' 171' ' ' VAL . . . 64.56 -172.26 18.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -174.39 -140.16 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 3.5 pm0 -125.23 175.04 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.44 18.1 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 176' ' ' THR . 9.6 t -116.43 74.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.3 tm? -78.34 -37.05 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -84.48 46.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 176' ' ' THR . 32.1 t -137.44 -44.7 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.604 ' HB3' ' HE3' ' A' ' 191' ' ' MET . 4.8 t -93.83 118.8 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.36 69.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 106' ' ' ARG . 1.3 mmt180 -57.95 -17.58 17.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.915 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -75.46 -42.03 28.56 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.613 ' N ' HD22 ' A' ' 184' ' ' LEU . 1.2 mm? -85.67 -14.71 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -80.33 -48.2 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.637 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -89.94 -29.58 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.47 68.37 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.982 ' CD1' HD11 ' A' ' 145' ' ' LEU . 3.0 mm? -86.15 -36.24 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.8 pt-20 49.54 19.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.553 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 153.27 96.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.604 ' HE3' ' HB3' ' A' ' 180' ' ' SER . 1.4 ptt? -153.3 155.18 36.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -84.52 127.82 34.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 173' ' ' GLY . 28.5 tt0 -118.47 111.46 18.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -98.02 122.74 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.754 HG22 HG13 ' A' ' 137' ' ' ILE . 47.1 t -112.72 162.24 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 26.1 m-85 -155.2 133.43 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.918 HG23 HG21 ' A' ' 171' ' ' VAL . 53.6 t -93.93 105.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.836 HD23 HG12 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -96.53 104.62 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.663 HH22 ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -66.59 97.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 130' ' ' GLN . 35.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 2.0 pt-20 -140.09 84.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.842 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.2 p -131.72 78.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.499 ' O ' ' O ' ' A' ' 5' ' ' VAL . 7.0 m120 37.33 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -45.75 -37.66 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -66.84 -48.51 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.3 tm? -51.42 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.84 -33.76 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 5.9 tp60 -69.33 -79.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.507 ' CE2' HG21 ' A' ' 171' ' ' VAL . 40.1 m-85 -44.17 -53.47 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.055 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.5 t-105 -51.37 -57.13 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 5.9 m -47.03 -34.67 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -82.17 -44.81 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -46.45 -41.47 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 23.6 t-20 64.92 42.78 4.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 37.8 t -48.41 145.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.136 HG23 ' HB2' ' A' ' 22' ' ' ALA . 2.4 m -53.26 150.95 10.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.62 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.57 -8.57 28.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.136 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -41.0 153.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.924 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 23.3 mmt85 -90.66 132.56 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 38' ' ' LEU . 60.7 t -108.82 109.78 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.932 HD13 ' HD3' ' A' ' 27' ' ' PRO . 1.6 tm? -79.5 128.18 33.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -118.56 90.3 39.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.932 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.1 Cg_endo -75.0 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.813 HD11 ' OH ' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 42.42 26.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' HB3' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -95.04 -30.14 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.655 ' HA2' HD12 ' A' ' 84' ' ' ILE . . . 59.17 -116.88 9.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -103.85 167.63 9.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.407 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER 168.67 164.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.845 ' HG2' ' HB2' ' A' ' 181' ' ' ALA . 5.4 mm100 -49.04 -41.74 36.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.627 ' OD1' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.3 -58.18 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.814 ' CG ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.59 -51.83 19.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -38.36 83.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.842 ' HB2' HG21 ' A' ' 5' ' ' VAL . 69.4 t90 -62.33 -39.87 94.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 24' ' ' VAL . 9.2 mt -67.21 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.3 -32.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.78 -38.2 37.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 9.7 mm-40 -71.35 -32.79 68.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.95 66.45 0.61 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -132.12 172.17 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 46.3 m170 -99.83 91.96 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.614 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.814 HG11 ' CG ' ' A' ' 35' ' ' MET . 48.3 t -85.31 120.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.878 HG13 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -144.83 114.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.67 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -162.49 -173.45 31.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.041 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -138.07 160.85 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.641 ' HG3' ' HA ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -123.9 118.04 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.7 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 3.4 mm? -75.1 82.65 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.663 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.3 132.81 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -98.36 -49.44 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.13 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -66.35 -34.0 76.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.652 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -62.66 -53.32 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -59.26 -43.33 92.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.62 -40.09 93.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -61.67 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.652 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 1.9 m-30 -73.94 -24.25 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -76.99 -42.07 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -47.14 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 71.97 32.81 63.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 1.4 mt-10 84.03 142.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 164.23 -50.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.0 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.27 113.06 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.639 HG22 ' HE3' ' A' ' 75' ' ' LYS . 8.4 mm -110.58 127.17 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.694 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -135.41 145.94 47.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 t -109.95 114.35 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -110.66 98.01 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.76 -106.02 1.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.16 21.7 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CE1' ' OD2' ' A' ' 88' ' ' ASP . 20.0 m-85 -130.11 172.66 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.639 ' HE3' HG22 ' A' ' 68' ' ' ILE . 6.1 tttp -134.61 164.63 27.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.16 118.7 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.782 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -118.14 100.53 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.82 133.9 42.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.77 152.9 37.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.08 -53.88 0.65 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -111.23 163.72 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.661 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.16 48.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.655 HD12 ' HA2' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -105.09 118.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.041 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -112.43 119.81 39.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.641 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 8.1 t -83.79 148.79 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 128.7 -99.77 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.617 ' HA ' HD13 ' A' ' 50' ' ' LEU . 12.6 t70 -130.36 163.18 27.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.977 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -140.16 126.78 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 157.0 41.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.31 36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -126.44 -1.34 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 97' ' ' ILE . 7.5 m 51.08 83.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.395 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -60.38 -12.06 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 128' ' ' MET . 36.8 ttt85 -82.96 -43.29 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -26.69 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.878 ' CD1' HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -91.78 -29.05 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -82.88 -70.88 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 3.0 p-80 54.25 -73.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.623 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.784 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.9 p -141.33 137.03 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.025 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.19 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.055 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -171.79 -175.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -158.98 147.05 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.71 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 16.0 t80 -117.68 120.47 38.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 1.7 t0 -106.34 137.68 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -112.45 172.02 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 139' ' ' LEU . . . -50.88 112.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.425 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -156.38 -59.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.7 ' HE2' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -69.92 -9.45 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 150' ' ' PRO . 0.1 OUTLIER -83.97 -12.86 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.472 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -99.87 -9.4 22.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.937 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.3 mp -98.45 165.99 14.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -56.92 -64.31 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.4 m-20 -39.86 -55.82 1.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.937 ' HG2' HD23 ' A' ' 112' ' ' LEU . 11.0 tpp -59.62 -45.22 92.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.949 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -54.71 -38.93 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.586 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.8 mt-10 -67.18 -50.95 59.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -64.21 -20.67 66.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.813 ' OH ' HD11 ' A' ' 28' ' ' LEU . 3.0 t80 -78.27 -55.8 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.949 HG13 ' O ' ' A' ' 117' ' ' ARG . 2.2 m -57.39 -41.7 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 7.8 pt20 -67.34 -46.67 72.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 0.8 OUTLIER -58.19 -40.41 81.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.74 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -66.08 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.518 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -53.41 -18.7 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -74.47 -63.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -84.3 14.89 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.74 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -80.89 177.0 3.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.01 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.22 -38.06 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.95 90.04 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -146.27 149.74 34.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.946 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -95.92 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.573 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -91.21 147.76 19.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.539 ' CD2' HG13 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -139.57 104.94 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.775 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -86.46 137.95 32.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 136' ' ' LEU . 6.0 mm -123.68 92.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.733 ' C ' HD12 ' A' ' 139' ' ' LEU . 31.1 p -97.47 168.36 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 138' ' ' THR . 0.4 OUTLIER -149.26 165.11 32.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.37 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.54 ' OE2' ' CD2' ' A' ' 194' ' ' HIS . 5.7 pt-20 -131.11 -59.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.486 ' O ' ' CG ' ' A' ' 143' ' ' GLN . 58.7 t80 -38.0 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.602 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -35.91 153.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.571 ' CB ' ' O ' ' A' ' 142' ' ' ASP . 1.1 pp0? 154.63 -16.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.14 42.62 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.951 HD21 ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 176.27 -33.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.677 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -86.69 151.91 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.503 ' H ' HD23 ' A' ' 146' ' ' LEU . 4.8 pt-20 -66.01 109.24 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.464 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 81.51 120.32 0.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.03 110.94 3.21 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.04 139.2 23.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -97.42 7.16 47.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 151' ' ' PHE . 1.1 p 58.63 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.548 HG21 HH21 ' A' ' 117' ' ' ARG . 3.8 t -124.38 121.22 26.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.541 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.536 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -39.75 -47.24 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -44.79 -41.76 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.431 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.732 ' CH2' ' HD2' ' A' ' 117' ' ' ARG . 54.4 t90 -63.75 -48.17 78.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.616 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.4 OUTLIER -56.39 -35.49 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.638 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -82.22 -17.52 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.721 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.08 -39.03 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.721 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.4 -59.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.64 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.54 5.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.67 ' H ' ' C ' ' A' ' 161' ' ' VAL . 16.0 t -95.37 108.22 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 133.62 64.05 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 0.9 OUTLIER 151.19 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.81 148.14 32.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -96.05 86.29 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 198' ' ' LEU . 17.9 m -70.59 128.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.613 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -124.26 135.11 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 129.68 40.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.937 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -159.13 166.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 80.68 -149.24 29.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.01 -126.46 1.72 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.43 171.78 13.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.36 9.7 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 176' ' ' THR . 13.6 t -116.23 74.12 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.503 ' CG ' ' HA3' ' A' ' 183' ' ' GLY . 8.8 tt -90.55 -48.4 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -28.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 1.8 m -60.93 -51.59 68.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' LEU . 95.2 p -94.84 157.05 16.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -91.09 -34.13 15.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -43.97 -33.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.536 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -64.97 -39.28 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 181' ' ' ALA . 0.9 OUTLIER -78.21 -21.03 50.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -46.75 53.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.662 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -90.62 -40.06 12.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 91.93 79.22 1.4 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.951 ' HG ' HD21 ' A' ' 145' ' ' LEU . 3.6 mp -112.64 -17.16 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 33.65 32.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 152.45 89.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 139' ' ' LEU . 25.0 ptt? -139.46 137.72 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 113.47 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 173' ' ' GLY . 13.3 tt0 -125.45 114.27 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.54 ' CD2' ' OE2' ' A' ' 140' ' ' GLU . 69.9 m-70 -95.37 123.16 38.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.739 HG22 HD12 ' A' ' 137' ' ' ILE . 15.7 t -103.07 152.5 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 23.5 m-85 -144.55 115.58 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.937 HG23 HG11 ' A' ' 171' ' ' VAL . 72.3 t -84.1 101.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.809 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.8 109.17 21.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -79.26 97.75 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.4 103.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -140.5 84.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -132.02 78.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.568 ' ND2' HD12 ' A' ' 137' ' ' ILE . 5.0 m120 34.28 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -43.56 -39.67 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 4.7 m-20 -63.78 -52.85 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 9' ' ' LEU . 2.8 tm? -48.76 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.3 pt20 -55.74 -29.59 59.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 14.7 tp60 -73.06 -79.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CE1' HG11 ' A' ' 197' ' ' VAL . 47.6 m-85 -43.89 -41.73 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.841 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 3.9 t-105 -66.03 -44.89 83.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -56.84 -29.46 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -40.16 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 133' ' ' SER . 5.1 mt -56.14 -40.96 74.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t30 41.21 41.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 19' ' ' VAL . 11.9 p -49.37 155.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.045 HG23 ' HB2' ' A' ' 22' ' ' ALA . 4.6 m -33.12 142.08 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 105.37 -4.51 40.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.045 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -39.64 158.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.948 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 14.1 mmt85 -83.8 120.1 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.902 HG23 ' HA ' ' A' ' 45' ' ' VAL . 2.8 m -105.75 118.79 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 ' C ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -101.59 137.43 39.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.804 ' N ' HD13 ' A' ' 25' ' ' LEU . 35.8 m -138.92 104.83 7.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.711 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 136.63 20.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.56 48.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 9.2 t -98.31 -34.18 10.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.3 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 54.8 -116.24 6.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 132.2 46.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.76 154.9 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 7.3 mm100 -55.69 -35.86 66.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.42 -58.24 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.615 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -54.27 -57.39 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -33.03 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.662 ' HB2' HG21 ' A' ' 5' ' ' VAL . 15.3 t90 -72.01 -38.31 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.93 -59.38 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.407 ' OG ' HG21 ' A' ' 45' ' ' VAL . 7.0 m -51.67 -43.55 62.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.2 71.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -84.13 -37.58 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.44 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CE1' ' HB3' ' A' ' 41' ' ' GLN . 10.2 m-85 -123.07 175.01 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -89.2 75.39 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 82' ' ' ILE . 85.4 t -65.85 110.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.03 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.4 p -141.88 114.65 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.665 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -147.93 -176.91 21.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.05 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.59 161.91 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.571 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.91 122.73 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HG ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -96.31 67.02 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.916 ' O ' HG13 ' A' ' 55' ' ' VAL . 68.7 m -153.6 98.82 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.705 ' O ' HG22 ' A' ' 55' ' ' VAL . 3.9 tt0 -60.83 -61.19 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.04 -36.11 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -61.05 -55.52 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -50.8 -36.7 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 14.9 mt-10 -65.23 -44.67 87.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.514 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.23 -31.91 72.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -75.46 -35.79 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 8.2 m-30 -71.86 -30.87 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -34.8 26.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.37 -39.09 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -87.12 -33.95 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.54 40.31 32.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.7 mt-10 74.3 146.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.793 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 163.33 -49.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.04 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 77' ' ' TYR . 4.3 t60 -90.05 111.97 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 77' ' ' TYR . 5.3 mm -108.49 130.87 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.784 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -136.22 143.42 44.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 m -95.5 120.18 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.47 85.08 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.29 -111.27 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 18.47 18.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.1 m-85 -133.65 172.57 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.592 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -132.51 164.33 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' HB2' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -143.09 108.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.736 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -116.49 100.57 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -97.99 154.15 17.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.77 156.01 56.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.12 -52.62 2.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.991 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.02 173.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.753 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.74 43.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -99.86 108.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.05 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 1.4 p-90 -101.03 104.58 15.73 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.597 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -68.32 149.46 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.676 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 132.24 -105.0 0.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.681 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.1 t70 -140.65 163.25 33.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CZ ' HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -114.05 133.43 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.645 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 153.88 40.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 175.36 51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.959 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -139.1 -5.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.73 ' O ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER 38.74 79.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.736 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -58.68 -11.52 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 127' ' ' LEU . 1.8 ptt85 -80.65 -45.31 17.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -67.59 -45.95 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.03 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -74.82 -40.3 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -66.79 -75.99 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 1.6 t-80 64.08 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.7 t -144.8 137.83 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.023 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.77 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.848 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -168.49 -173.8 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.683 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 4.4 p90 -168.85 138.43 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 34' ' ' ASP . 3.2 t80 -103.05 117.17 33.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.823 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -96.98 128.1 43.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -96.97 165.25 12.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.523 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -58.87 101.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -134.27 -53.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.688 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.25 -28.11 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.579 HG22 ' CG1' ' A' ' 153' ' ' VAL . 0.2 OUTLIER -62.17 -15.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.3 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.83 169.79 0.49 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -66.35 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 t0 -39.25 -56.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.586 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 28.2 tpp -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.919 ' O ' HG13 ' A' ' 121' ' ' VAL . 32.5 mtp180 -51.92 -45.65 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.566 ' HG2' HG21 ' A' ' 161' ' ' VAL . 9.7 mt-10 -66.0 -46.43 78.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.441 ' O ' ' ND1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -62.49 -23.3 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.506 ' OH ' HD21 ' A' ' 28' ' ' LEU . 65.0 t80 -78.57 -51.4 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.919 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.1 m -61.31 -41.58 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 9.9 pt20 -66.85 -48.51 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.6 m170 -55.49 -41.76 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.63 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.726 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -67.57 -60.39 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.634 ' HB2' ' CZ2' ' A' ' 166' ' ' TRP . 0.2 OUTLIER -51.63 -20.96 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.05 -58.92 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.799 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -81.15 3.73 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.69 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.9 mmt -71.74 175.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.69 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -74.97 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 mt-30 -105.63 -48.55 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.33 97.06 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 33.4 m -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.848 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -103.16 107.5 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.683 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.77 149.68 20.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -144.12 109.43 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.967 HD23 HG23 ' A' ' 138' ' ' THR . 0.3 OUTLIER -91.85 144.75 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' A' ' 195' ' ' VAL . 13.9 mm -127.42 98.08 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.967 HG23 HD23 ' A' ' 136' ' ' LEU . 78.8 p -106.31 168.55 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.734 HD22 ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -135.29 164.17 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.6 tm-20 -118.08 -82.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.552 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.1 m-85 -27.64 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.734 ' OD2' HD22 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -28.68 139.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 7.0 pt20 168.37 -28.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.4 44.03 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.89 -31.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.882 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.8 OUTLIER -87.44 143.77 27.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.6 ' H ' HD23 ' A' ' 146' ' ' LEU . 15.2 mt-10 -53.54 106.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 77.66 131.58 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.5 Cg_endo -74.98 113.96 3.91 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.5 13.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -79.94 9.92 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 153' ' ' VAL . 6.8 p 47.74 46.24 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.799 ' CG1' HG21 ' A' ' 138' ' ' THR . 8.1 p -36.83 115.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.53 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -75.0 142.94 28.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 8.7 tm0? -55.5 -44.65 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 154' ' ' PRO . 11.3 t -52.63 -39.75 62.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.625 ' CE2' HG11 ' A' ' 161' ' ' VAL . 70.8 t90 -62.06 -52.01 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.1 mt -52.47 -46.42 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.536 ' O ' ' CB ' ' A' ' 163' ' ' SER . 9.1 t-80 -69.93 -20.11 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.614 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.01 -32.88 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.625 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.32 -70.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.608 ' N ' HG22 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -39.8 -29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 1.9 t -50.97 109.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -168.67 -44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.907 ' O ' HG22 ' A' ' 201' ' ' VAL . 21.8 m-80 -149.65 -49.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.634 ' CZ2' ' HB2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -80.05 96.71 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.68 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.4 mm-40 -64.89 96.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.683 HG12 ' HB3' ' A' ' 198' ' ' LEU . 1.4 m -74.52 138.51 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.846 HG22 HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -129.56 142.94 50.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.506 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -67.74 138.03 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.601 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -168.23 170.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.601 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.68 -152.82 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 176' ' ' THR . . . 178.52 172.59 43.05 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pm0 -97.84 171.23 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 54.9 21.41 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 176' ' ' THR . 12.6 t -116.55 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -75.57 -41.08 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -53.57 -30.36 41.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.2 -39.41 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.05 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.9 t -122.26 165.11 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -91.33 -31.89 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -25.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.986 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -64.23 -54.84 27.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.625 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -74.27 -15.15 60.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -37.53 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.684 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -95.09 -38.81 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 99.39 66.75 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 145' ' ' LEU . 2.8 mm? -87.73 -52.65 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.63 -1.46 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.337 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 160.68 116.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.58 ' HE1' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -167.28 153.49 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.503 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.0 m-20 -77.69 135.06 38.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.604 ' HB3' HG23 ' A' ' 176' ' ' THR . 7.0 tt0 -122.43 120.88 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -103.22 122.66 45.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' A' ' 137' ' ' ILE . 11.6 t -111.21 151.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 19.0 m-85 -139.7 114.34 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.846 HG12 HG22 ' A' ' 169' ' ' THR . 7.8 p -90.72 106.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.683 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -103.3 144.33 31.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.3 mt-10 -112.08 97.72 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.3 OUTLIER -63.22 93.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 165' ' ' ASN . 34.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.59 85.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.594 HG21 ' CB ' ' A' ' 37' ' ' TRP . 1.4 p -131.58 78.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.512 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER 33.75 92.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.68 -35.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.6 ' OD2' HG21 ' A' ' 195' ' ' VAL . 2.4 m-20 -66.38 -52.82 42.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.881 HD23 ' CE1' ' A' ' 104' ' ' TYR . 3.3 tm? -52.64 -65.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.8 pp0? -53.94 -31.28 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.55 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.3 tt0 -69.42 -78.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' LEU . 25.1 m-85 -44.08 -54.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.035 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t-105 -51.82 -54.33 30.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 7.5 t -48.64 -34.11 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 16' ' ' LEU . 56.5 m -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' TYR . 10.8 mt -35.28 -43.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 17' ' ' ASN . 37.9 t30 60.39 40.56 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.729 HG12 ' CB ' ' A' ' 22' ' ' ALA . 87.3 t -41.78 143.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.85 152.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.55 2.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 42' ' ' GLY . . . 104.67 -0.6 42.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.026 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -38.69 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.954 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -91.25 128.33 37.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.994 HG11 ' CD1' ' A' ' 38' ' ' LEU . 15.9 t -104.37 111.92 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -87.96 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.721 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -130.35 121.1 19.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.906 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 -43.98 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.906 HD23 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -169.45 24.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.616 ' H ' HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -78.25 -15.79 58.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 66.0 -114.07 6.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -125.12 -98.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.46 -162.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -70.7 -37.82 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.599 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.3 p-10 -53.32 -57.7 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.631 ' HG3' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.49 -58.23 8.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.429 ' HA ' ' CE ' ' A' ' 35' ' ' MET . 21.7 m -44.43 -37.19 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CB ' HG21 ' A' ' 5' ' ' VAL . 63.8 t90 -70.57 -44.52 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.994 ' CD1' HG11 ' A' ' 24' ' ' VAL . 71.8 mt -58.08 -62.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.496 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 64.2 p -50.13 -41.86 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.31 -30.24 75.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -73.46 -38.26 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' A' ' 21' ' ' GLY . . . 114.39 46.2 0.64 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 6.6 m-85 -115.8 172.7 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -94.51 93.22 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.925 HG12 HD11 ' A' ' 82' ' ' ILE . 77.5 t -75.76 112.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 1.013 HG13 ' HB3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -135.29 127.91 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.758 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 173.82 176.58 42.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.871 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -111.56 168.28 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.545 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -125.06 93.56 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.744 ' HG ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.02 75.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.872 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -152.48 130.8 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.84 73.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.872 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -70.19 -41.34 73.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -56.51 -52.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 55' ' ' VAL . 3.4 mm-40 -60.55 -46.27 90.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -57.88 -37.53 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -66.55 -42.63 86.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 3.4 m-30 -68.41 -27.53 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -39.81 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.01 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.463 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 4.0 mtt-85 -84.21 -35.03 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 77.28 40.22 24.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.7 mt-10 77.85 150.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.87 -49.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.19 112.08 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.626 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 59' ' ' PHE . 1.9 mm -98.46 138.62 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.65 149.85 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -113.5 96.13 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.517 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 56.2 mm-40 -85.02 85.09 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.58 -91.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 1.7 t70 -117.09 26.39 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.626 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 21.1 m-85 -136.08 169.48 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -121.52 157.61 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.87 HG13 ' HB2' ' A' ' 85' ' ' TRP . 26.0 t -141.59 100.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.6 t80 -103.35 101.64 11.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.58 131.64 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 158.23 34.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.95 -55.75 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.023 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -103.32 142.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 1.013 ' HB3' HG13 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -93.88 49.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.023 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.93 122.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.871 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.25 101.45 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 2.9 t -70.41 127.31 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.465 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 149.35 -106.96 0.34 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.626 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -128.53 163.67 24.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.712 ' HB3' HD21 ' A' ' 50' ' ' LEU . 2.9 t80 -108.42 107.9 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 166.35 40.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.517 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -152.24 23.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.012 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -149.26 159.96 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.767 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -104.97 101.58 11.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 1.042 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -56.16 -18.45 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -85.29 -38.77 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 9.0 t0 -64.42 -41.67 96.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.814 ' C ' HD12 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -84.45 -46.13 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -52.24 -68.82 1.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.754 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.4 OUTLIER 47.88 -89.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.768 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 76.7 m -135.12 132.53 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.026 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.19 -106.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.035 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -172.96 -173.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -157.34 152.22 25.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.881 ' CE1' HD23 ' A' ' 9' ' ' LEU . 2.0 t80 -123.24 122.89 39.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.595 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -112.9 153.75 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.75 172.09 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.745 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -57.87 100.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.58 -43.06 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.988 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.59 -7.29 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.872 HD12 ' N ' ' A' ' 111' ' ' ALA . 1.2 pp -87.75 -11.01 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.872 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -103.25 -47.06 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.851 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.4 mp -75.1 164.12 63.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.86 -49.56 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 9.6 t70 -55.52 -60.97 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.851 ' HG2' HD23 ' A' ' 112' ' ' LEU . 25.4 tpp -51.15 -56.27 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 1.073 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -53.45 -38.18 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 1.2 mt-10 -60.55 -43.32 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 3.7 mmt180 -73.06 -24.18 60.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.411 ' CD1' ' NH2' ' A' ' 117' ' ' ARG . 1.6 t80 -77.87 -44.55 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 1.073 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -66.96 -42.77 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 3.2 pt20 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.457 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 47.5 m170 -63.64 -34.24 77.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.694 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.549 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -53.3 -26.72 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.447 ' N ' ' OE1' ' A' ' 125' ' ' GLU . . . -72.76 -49.25 32.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.042 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -85.31 -3.21 58.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.659 ' CG ' HD13 ' A' ' 124' ' ' LEU . 3.4 mmt -65.16 174.99 1.14 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.754 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.1 Cg_endo -75.02 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 201' ' ' VAL . 9.9 tt0 -110.31 -39.56 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.671 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -141.75 93.57 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -151.63 144.05 24.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.981 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -93.64 107.63 19.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.648 ' O ' HD12 ' A' ' 198' ' ' LEU . . . -84.86 143.01 20.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.591 HD11 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -129.92 100.62 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.988 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.88 130.19 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 136' ' ' LEU . 13.5 mm -115.47 107.18 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . 1.036 ' O ' HD13 ' A' ' 139' ' ' LEU . 1.2 p -120.91 172.23 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 1.036 HD13 ' O ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -139.18 176.26 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 141' ' ' TYR . 3.0 tt0 -131.26 -80.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.577 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.6 m-85 -24.36 -81.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.768 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -25.76 139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 6.8 pt20 175.86 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -126.06 50.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.981 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.19 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.897 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -91.3 150.49 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.65 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.8 OUTLIER -64.78 102.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.7 125.42 2.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 110' ' ' ILE . 18.2 Cg_endo -75.01 135.46 19.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -89.93 18.05 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 153' ' ' VAL . 5.0 p 41.68 50.16 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.816 ' H ' HG22 ' A' ' 110' ' ' ILE . 7.6 p -39.26 114.07 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.603 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.98 127.87 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.609 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -42.97 -31.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 154' ' ' PRO . 6.0 t -57.66 -38.03 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.606 ' CE2' HG11 ' A' ' 161' ' ' VAL . 75.7 t90 -64.67 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 108.021 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.5 mt -51.88 -28.12 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.702 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.6 OUTLIER -84.8 -21.31 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.613 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.4 OUTLIER -84.01 -34.08 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.689 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -113.99 -63.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.93 6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 14.2 t -95.23 97.94 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 147.83 60.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.688 ' O ' HG22 ' A' ' 201' ' ' VAL . 7.0 m-20 151.12 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.02 145.24 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.2 mm-40 -98.97 94.09 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.828 HG12 ' HB3' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -81.39 131.05 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.824 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.77 148.57 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.384 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.443 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.2 OUTLIER -66.01 133.47 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.62 HG22 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -164.12 167.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.62 -139.2 14.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 171.35 157.85 14.13 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -105.78 168.88 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.16 21.94 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.709 ' O ' HG23 ' A' ' 176' ' ' THR . 12.3 t -109.31 74.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 190' ' ' ARG . 2.5 tm? -60.74 -47.86 84.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.89 62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.59 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 36.8 t -159.24 -43.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 30.2 t -91.39 135.66 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.06 29.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -19.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.943 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.76 -46.73 72.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.634 ' N ' HD22 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -85.82 -15.55 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -52.51 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.659 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -84.68 -29.63 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.82 67.47 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.981 HD13 HD21 ' A' ' 145' ' ' LEU . 3.1 mm? -85.15 -43.5 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 190' ' ' ARG . 3.7 mm-40 59.93 12.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.597 ' H ' HD23 ' A' ' 177' ' ' LEU . 6.2 ptm180 159.31 104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.532 ' HA ' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -162.42 149.11 13.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 19.6 t0 -82.97 134.09 35.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 30.5 tt0 -116.06 121.55 42.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 138' ' ' THR . 31.4 m-70 -106.11 123.14 47.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.62 ' CG1' HG22 ' A' ' 171' ' ' VAL . 21.6 t -117.33 149.55 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.828 ' HB3' HG12 ' A' ' 168' ' ' VAL . 18.0 m-85 -140.37 117.12 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.824 HG12 HG22 ' A' ' 169' ' ' THR . 0.8 OUTLIER -83.76 103.53 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.881 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.97 103.92 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.02 99.74 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -66.8 103.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 165' ' ' ASN . 16.9 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.2 pt-20 -140.67 84.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.964 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.8 p -131.9 78.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.51 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 37.71 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.578 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -49.79 -36.86 27.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.725 ' OD2' HG21 ' A' ' 195' ' ' VAL . 26.8 m-20 -71.64 -26.58 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.86 HD13 ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -71.15 -66.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' SER . 14.7 pt20 -60.1 -29.55 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.9 tp60 -66.13 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.713 ' CD1' HG21 ' A' ' 197' ' ' VAL . 13.7 m-85 -44.66 -54.15 6.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.999 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.5 t-105 -48.52 -55.4 11.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 107.946 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 9.0 t -46.55 -45.43 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 4.6 t -76.05 -49.39 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB3' HG23 ' A' ' 18' ' ' VAL . 1.1 mt -39.46 -56.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 18.2 t-20 67.46 37.22 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 16' ' ' LEU . 95.8 t -51.13 143.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.044 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 4.7 p -35.46 143.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 90.44 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.26 6.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.044 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . . . -46.88 157.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.902 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -81.91 114.6 20.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG13 ' HH2' ' A' ' 13' ' ' TRP . 20.3 t -104.46 101.77 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.978 ' HB2' HD11 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -94.09 153.96 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.746 HG23 ' HA3' ' A' ' 47' ' ' GLY . 19.4 m -156.22 108.4 2.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.933 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 133.99 17.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.933 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.07 49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' PRO . 12.1 t -84.01 -35.25 24.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 34.85 68.22 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -117.26 177.77 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.58 -44.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 40.3 mm-40 -73.62 -54.12 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -58.06 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -57.85 -62.09 2.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.408 ' H ' ' CG ' ' A' ' 35' ' ' MET . 51.2 m -44.4 -30.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.964 ' HB2' HG21 ' A' ' 5' ' ' VAL . 9.0 t90 -73.41 -45.72 52.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -59.06 -66.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -48.88 -48.56 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.39 -22.88 2.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -95.65 -35.65 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.49 68.9 0.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -135.75 170.57 15.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.86 87.01 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.66 HG12 HD11 ' A' ' 82' ' ' ILE . 59.4 t -77.35 96.89 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.739 HG13 ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -115.47 94.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.746 ' HA3' HG23 ' A' ' 26' ' ' VAL . . . -130.95 173.22 20.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.071 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.32 169.25 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.77 129.96 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.917 HD23 HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -96.3 69.78 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.657 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -152.46 135.13 15.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -98.11 -46.52 5.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.65 97.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -61.49 -34.78 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.831 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.5 t -64.26 -52.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.83 -42.68 89.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -61.75 -38.27 87.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -65.41 -40.7 93.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 3.1 m-30 -69.06 -33.1 73.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -43.33 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 7.8 mtt85 -72.55 -35.42 68.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.19 40.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 76.64 148.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.9 -49.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.98 -176.74 3.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -99.18 113.64 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.638 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.534 HG21 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mm -102.08 131.17 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.682 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -127.24 155.86 42.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -115.28 103.36 10.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.493 ' OE1' ' HA ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -91.21 84.86 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.77 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLN . 28.5 t0 -123.97 29.82 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 17.7 m-85 -137.98 172.59 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -126.04 152.62 45.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 85' ' ' TRP . 41.0 t -135.47 102.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.0 t80 -104.94 101.06 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.06 138.19 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.48 157.59 38.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.07 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.01 -57.74 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.8 HD13 ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.6 156.46 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.8 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -100.48 57.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.632 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -107.68 115.8 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.071 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.74 103.45 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.47 ' HB3' HG22 ' A' ' 55' ' ' VAL . 3.4 t -74.66 139.79 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 135.78 -96.36 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.636 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t70 -130.15 163.64 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.745 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -119.62 99.79 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER 172.62 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . 178.24 40.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.071 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -140.04 -3.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.602 ' N ' HD13 ' A' ' 92' ' ' LEU . 1.3 m 43.88 83.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.446 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 1.08 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -58.17 -12.57 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.72 -50.34 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.6 -52.69 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.978 HD11 ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.96 -45.61 83.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.577 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -50.38 -77.71 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.663 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 55.67 -87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.782 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 38.6 t -144.61 141.41 29.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.999 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.58 -107.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.999 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.21 165.12 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.744 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -149.12 109.32 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 1.084 ' CE2' HD12 ' A' ' 135' ' ' LEU . 2.9 m-85 -100.29 163.06 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.677 ' HB2' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -156.51 164.03 38.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.431 ' CZ ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.32 172.25 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.794 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -41.25 109.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.587 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -142.86 -59.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.444 ' HB2' ' HG2' ' A' ' 117' ' ' ARG . 8.1 ptp -65.11 -25.08 67.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.945 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.2 OUTLIER -60.83 -19.85 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.24 -63.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -56.08 164.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.06 -179.75 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -60.23 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 t0 -39.25 -54.37 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.606 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 39.7 tpp -60.86 -48.29 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 1.015 ' O ' HG13 ' A' ' 121' ' ' VAL . 37.8 mtp180 -49.02 -48.71 43.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 121' ' ' VAL . 12.0 mt-10 -63.94 -40.17 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 12.8 mmt85 -64.92 -28.8 69.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -78.28 -40.16 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 1.015 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -67.33 -41.63 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.529 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 20.4 pt20 -67.06 -49.46 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 4.0 m-70 -58.18 -43.86 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.703 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -63.51 -54.59 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.647 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -56.65 -23.67 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.451 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . -72.89 -53.34 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.08 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.76 -3.6 58.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.677 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.6 mmt -64.01 175.35 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.667 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.9 OUTLIER -114.71 -39.46 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.39 93.16 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.519 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -152.71 148.56 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.689 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.4 p -95.46 112.73 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.709 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -92.25 151.55 20.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 1.084 HD12 ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -143.36 104.71 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' A' ' 105' ' ' ASP . 2.6 tp -87.43 141.42 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 1.077 HD11 HD13 ' A' ' 135' ' ' LEU . 9.1 mm -120.7 106.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 110' ' ' ILE . 64.0 p -118.16 174.97 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.794 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -142.71 172.56 12.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.1 tt0 -126.12 -78.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.569 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.5 m-85 -25.39 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -26.74 143.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 8.5 pt20 169.97 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.38 46.19 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.947 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -31.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.886 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -89.34 155.21 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.721 ' H ' HD23 ' A' ' 146' ' ' LEU . 7.3 mm-40 -53.3 106.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.97 150.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.01 112.72 3.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.512 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.95 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.518 ' O ' ' C ' ' A' ' 152' ' ' SER . 8.1 t80 -75.88 83.1 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.518 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.5 OUTLIER -28.64 104.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.945 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.1 t -78.33 123.56 85.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.603 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.04 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 5.2 mp0 -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -63.73 -38.48 91.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.615 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.1 t90 -61.58 -56.09 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 107.992 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.748 HD23 ' CE ' ' A' ' 162' ' ' MET . 0.5 OUTLIER -48.28 -47.2 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.8 t60 -69.09 -21.58 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -80.79 -24.98 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.631 ' CG2' HG21 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -113.4 -60.55 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.748 ' CE ' HD23 ' A' ' 158' ' ' LEU . 6.9 mtt -70.59 5.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -38.95 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.618 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . -87.83 109.66 3.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.825 ' O ' HG22 ' A' ' 201' ' ' VAL . 12.9 m-20 146.79 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.749 ' CD1' ' N ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -146.61 130.89 17.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.5 mt-10 -73.95 84.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.701 HG12 ' HB3' ' A' ' 198' ' ' LEU . 1.5 m -71.33 131.96 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.648 HG22 ' HB ' ' A' ' 197' ' ' VAL . 0.5 OUTLIER -131.92 148.7 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.431 ' HG3' ' NE2' ' A' ' 155' ' ' GLN . 0.6 OUTLIER -76.23 137.22 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.604 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -163.12 170.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 108.84 -157.29 15.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 176' ' ' THR . . . -170.75 161.16 33.97 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.474 ' CB ' ' CG ' ' A' ' 192' ' ' ASP . 0.4 OUTLIER -101.89 160.98 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.68 14.26 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.719 ' O ' HG23 ' A' ' 176' ' ' THR . 14.0 t -110.49 74.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.654 HD21 ' HA3' ' A' ' 183' ' ' GLY . 1.5 tm? -84.5 -34.03 23.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -74.84 47.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 177' ' ' LEU . 3.1 t -139.93 -42.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 163.5 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -91.89 -58.62 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.62 -30.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.818 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.81 -63.03 4.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.08 -15.33 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.69 -61.56 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.578 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -64.85 -34.82 79.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.46 66.39 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.947 ' CD1' HD11 ' A' ' 145' ' ' LEU . 2.5 mm? -86.81 -52.99 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.59 -6.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 23.0 ptt180 175.2 122.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.72 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -175.87 155.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.474 ' CG ' ' CB ' ' A' ' 174' ' ' GLN . 24.1 t0 -80.28 125.86 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' GLY . 56.7 tt0 -109.16 121.6 45.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.435 ' O ' ' OG1' ' A' ' 138' ' ' THR . 53.8 m-70 -110.43 122.72 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.725 HG21 ' OD2' ' A' ' 8' ' ' ASP . 10.8 t -117.04 158.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 8.9 m-85 -146.84 133.21 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 12' ' ' TYR . 11.0 t -104.09 109.53 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.925 ' N ' HD23 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.89 113.97 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.8 tt0 -78.8 96.66 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.65 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -61.86 104.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 2.2 pt-20 -140.47 85.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.698 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.3 p -131.53 78.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 9' ' ' LEU . 1.8 m120 39.46 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -39.4 -45.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -62.16 -48.97 77.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.716 HD23 HD23 ' A' ' 135' ' ' LEU . 2.6 tm? -49.78 -65.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.7 pt20 -55.47 -33.81 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.34 -81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CE2' HG21 ' A' ' 171' ' ' VAL . 69.4 m-85 -44.22 -54.25 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.874 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.5 t-105 -48.68 -61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 20.0 m -45.33 -46.83 13.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -26.48 63.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -64.81 -46.42 82.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.74 49.39 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 22' ' ' ALA . 47.5 t -59.39 145.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.028 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.03 149.68 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.81 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 108.18 -1.89 33.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.028 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.57 154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.912 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 33.4 mmt-85 -82.53 122.0 27.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 38' ' ' LEU . 24.3 t -107.55 112.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.845 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.2 tm? -93.14 134.34 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.722 HG22 ' HA3' ' A' ' 47' ' ' GLY . 1.9 m -130.71 98.19 20.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.729 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.03 110.85 3.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.783 HD22 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 38.07 30.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.73 -35.38 79.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.278 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 33.9 61.36 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -108.11 -157.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.36 -45.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -72.63 -39.2 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.77 -58.18 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 36' ' ' SER . 4.2 ppp? -60.76 -40.46 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.448 ' N ' ' SD ' ' A' ' 35' ' ' MET . 47.8 t -63.51 -35.78 81.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.698 ' HB2' HG21 ' A' ' 5' ' ' VAL . 70.4 t90 -67.94 -51.88 42.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.824 HD13 HG11 ' A' ' 24' ' ' VAL . 7.3 mt -57.69 -67.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -42.61 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.04 91.94 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 32.2 tp60 -79.39 -20.5 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.761 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.95 79.67 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -145.07 165.77 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.604 ' CG ' ' NH1' ' A' ' 23' ' ' ARG . 4.6 m80 -91.07 81.2 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.022 HG12 HD11 ' A' ' 82' ' ' ILE . 93.3 t -75.68 109.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.901 HG13 HD13 ' A' ' 97' ' ' ILE . 1.4 p -136.33 110.32 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.728 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -149.71 -172.03 18.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.985 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -137.91 168.68 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.593 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.16 125.39 41.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.783 HD23 HD22 ' A' ' 28' ' ' LEU . 1.8 mm? -88.99 65.26 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.849 ' O ' HG13 ' A' ' 55' ' ' VAL . 35.8 t -153.3 107.97 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.41 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.19 -32.49 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.685 ' HB2' ' OG ' ' A' ' 51' ' ' SER . . . -63.58 -49.7 72.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -58.04 -37.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.79 -48.73 73.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 4.6 tpt180 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.409 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 1.8 m-30 -74.85 -36.99 62.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 5.2 m-30 -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 3.8 mm-40 -71.13 -41.6 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -81.22 -36.24 30.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.14 38.63 14.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 13.5 mt-10 69.88 152.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 159.26 -47.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.97 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.43 113.58 26.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.489 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 22.7 mm -103.75 118.6 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.588 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -119.56 148.6 43.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 p -98.58 141.51 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -137.65 85.38 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.87 -99.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.08 35.12 3.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 30.2 m-85 -149.89 173.17 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.573 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.2 OUTLIER -133.67 163.77 28.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 69' ' ' THR . 1.6 m -142.61 112.48 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.694 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.23 104.58 13.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.98 130.4 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.19 156.1 35.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.44 -55.44 0.75 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.022 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -106.95 154.52 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.662 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.07 50.83 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.79 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.77 114.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.985 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.11 105.39 15.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.508 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.85 140.86 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.611 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 131.15 -97.58 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 12.2 t70 -129.64 163.97 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.945 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -128.14 97.64 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 178.04 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -176.33 42.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.974 HD23 HG21 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -137.94 -34.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.959 ' N ' HD13 ' A' ' 92' ' ' LEU . 2.5 m 78.4 79.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.845 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -56.73 -12.64 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 127' ' ' LEU . 10.4 ttt180 -76.42 -50.63 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.34 -48.6 72.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.974 HG21 HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -66.46 -43.28 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.497 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -56.47 -76.05 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.724 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 2.1 m170 56.93 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.4 p -139.77 137.06 34.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.984 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.16 -109.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -171.53 -177.8 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.666 ' CE2' ' HA3' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -160.98 133.1 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.646 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 70.7 t80 -97.84 116.16 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.551 ' HB3' HD23 ' A' ' 136' ' ' LEU . 2.4 t0 -94.74 146.77 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.576 ' HD2' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -106.16 172.67 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.602 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -78.07 87.68 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.447 ' HB2' ' CD ' ' A' ' 106' ' ' ARG . . . -121.09 -38.88 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.18 -27.45 68.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.602 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -73.21 -12.27 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.07 -23.14 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.881 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.8 mp -95.33 166.02 15.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.99 -173.04 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -68.78 -67.66 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -39.61 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.881 ' HG2' HD23 ' A' ' 112' ' ' LEU . 13.8 tpp -52.16 -45.54 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.902 ' O ' HG13 ' A' ' 121' ' ' VAL . 5.6 mtm180 -55.35 -39.28 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.54 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.1 mt-10 -65.43 -48.92 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -67.97 -19.3 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.542 ' OH ' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -77.86 -56.76 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.3 m -60.02 -39.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.529 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.3 pt20 -66.72 -48.13 70.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.0 m170 -54.0 -40.79 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.626 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -65.71 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.68 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 6.1 mm-40 -52.79 -18.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -77.56 -54.99 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -90.61 14.31 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.636 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.3 mmt -79.84 174.71 5.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.724 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.06 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 201' ' ' VAL . 7.6 pt20 -111.37 -37.67 5.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -143.96 94.46 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.559 ' HB2' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -149.09 149.81 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.934 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -92.95 109.75 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.666 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -89.27 149.27 20.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.821 HD13 HG23 ' A' ' 197' ' ' VAL . 6.6 tp -140.2 99.07 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.82 127.16 33.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.752 HD13 HG22 ' A' ' 195' ' ' VAL . 41.4 mm -112.81 106.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.536 ' HB ' HG21 ' A' ' 110' ' ' ILE . 28.1 p -118.08 178.22 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.57 172.21 14.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 141' ' ' TYR . 37.2 tt0 -132.25 -82.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.572 ' C ' ' O ' ' A' ' 140' ' ' GLU . 70.8 t80 -22.32 -73.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.526 ' OD2' HD23 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -31.15 146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 3.1 pt20 174.6 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -121.83 52.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -22.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.721 ' HB2' HD21 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -96.27 127.15 42.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.669 ' N ' HD12 ' A' ' 146' ' ' LEU . 55.7 mm-40 -46.38 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.1 129.39 3.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.776 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.489 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 130.39 13.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.38 8.01 12.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.3 p 48.76 55.3 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.829 HG23 HH11 ' A' ' 117' ' ' ARG . 9.8 p -40.63 121.05 1.74 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.514 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.0 121.42 6.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -40.26 -44.28 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -49.96 -43.22 50.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.657 ' CE2' HG11 ' A' ' 161' ' ' VAL . 44.6 t90 -63.15 -51.04 68.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.653 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -54.25 -33.1 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.677 ' O ' ' CB ' ' A' ' 163' ' ' SER . 4.9 t60 -84.62 -17.44 38.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.67 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -82.31 -36.77 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.67 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.1 -60.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.653 ' CB ' ' O ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -56.89 6.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 42.1 t -100.65 107.63 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.564 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.96 59.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 8.6 m-20 151.65 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -145.91 128.85 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 107.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.0 OUTLIER -78.47 94.11 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 198' ' ' LEU . 33.7 m -79.34 131.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.877 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -131.7 137.28 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.43 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.634 ' C ' HG12 ' A' ' 171' ' ' VAL . 22.9 pttt -61.24 141.62 57.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 169' ' ' THR . 0.2 OUTLIER -173.46 168.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 112.92 -165.75 12.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.545 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -149.05 176.59 27.75 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.525 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 26.4 pt20 -114.95 139.54 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' ASP . . . . . 0.423 ' HA ' ' N ' ' A' ' 191' ' ' MET . 0.8 OUTLIER 64.8 11.85 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 176' ' ' THR . 7.7 t -116.86 73.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.95 HD21 ' H ' ' A' ' 190' ' ' ARG . 0.2 OUTLIER -92.24 -11.42 35.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.573 ' N ' HD12 ' A' ' 177' ' ' LEU . 70.4 m-70 -46.29 -27.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -71.13 -40.87 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -86.97 157.15 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -92.5 -42.24 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -42.18 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -66.93 -50.48 46.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.546 ' H ' HD22 ' A' ' 184' ' ' LEU . 1.1 mm? -73.9 -14.57 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -41.02 28.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.99 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -87.49 -40.01 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.29 66.28 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.99 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.2 OUTLIER -113.57 -31.52 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 6.9 pm0 38.9 39.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.95 ' H ' HD21 ' A' ' 177' ' ' LEU . 0.7 OUTLIER 153.38 112.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.886 ' HG2' HD23 ' A' ' 177' ' ' LEU . 1.8 ptt? -175.48 145.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.9 m-20 -54.28 108.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 173' ' ' GLY . 27.2 tt0 -102.65 105.08 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 138' ' ' THR . 9.6 m-70 -91.95 149.32 21.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.752 HG22 HD13 ' A' ' 137' ' ' ILE . 46.4 t -147.46 146.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 169' ' ' THR . 8.0 m-85 -141.64 117.25 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.877 HG12 HG22 ' A' ' 169' ' ' THR . 2.4 p -83.76 112.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.842 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.98 104.0 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.84 95.65 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -61.9 99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 165' ' ' ASN . 25.7 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.55 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.608 HG11 ' HD1' ' A' ' 37' ' ' TRP . 2.4 p -131.74 143.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.496 ' ND2' ' OD2' ' A' ' 8' ' ' ASP . 1.2 t30 -32.54 116.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -57.83 -39.83 78.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.625 ' OD1' HG22 ' A' ' 171' ' ' VAL . 2.9 m-20 -64.31 -46.52 83.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.685 HD13 ' C ' ' A' ' 9' ' ' LEU . 2.2 tm? -53.08 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' SER . 10.2 pt20 -56.43 -28.95 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 3.9 tp-100 -67.76 -81.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.894 ' HE2' HG21 ' A' ' 171' ' ' VAL . 55.4 m-85 -43.97 -54.55 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.075 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 2.3 t-105 -49.45 -55.34 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.9 m -48.41 -36.15 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 6.9 t -88.04 -53.84 4.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.727 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.4 mp -39.2 -42.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 47.18 36.17 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.2 p -47.28 153.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.051 HG23 ' HB2' ' A' ' 22' ' ' ALA . 5.3 m -34.45 144.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 106.64 -3.49 36.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.051 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.63 156.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.903 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 31.4 mmt-85 -81.87 123.85 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.039 HG11 HD13 ' A' ' 38' ' ' LEU . 47.6 t -106.38 114.83 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 1.027 HD23 HD11 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -103.95 139.95 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.818 ' N ' HD13 ' A' ' 25' ' ' LEU . 7.4 m -142.46 106.23 5.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.909 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.93 124.24 8.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 26.3 54.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -110.93 -35.33 5.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.2 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER 58.54 -151.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.263 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.43 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -163.74 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 12.4 mm-40 -73.72 -47.57 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t70 -52.24 -58.59 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.464 ' HG3' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -61.0 -62.48 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.464 ' H ' ' HG3' ' A' ' 35' ' ' MET . 30.4 t -43.68 -32.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.608 ' HD1' HG11 ' A' ' 5' ' ' VAL . 30.7 t90 -69.25 -53.5 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.039 HD13 HG11 ' A' ' 24' ' ' VAL . 4.8 mt -61.04 -66.78 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 -44.76 4.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.67 65.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LEU . 3.8 mm-40 -80.82 -30.81 35.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.64 59.4 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.446 ' HE2' HG13 ' A' ' 18' ' ' VAL . 9.0 m-85 -126.21 171.23 11.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -82.65 80.59 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.91 103.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.894 ' CG2' HD12 ' A' ' 97' ' ' ILE . 1.2 p -135.39 143.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.763 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -179.79 -176.8 47.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.83 168.79 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -129.62 129.58 44.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.887 HD23 HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -97.34 68.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.801 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 55.0 p -152.29 133.42 14.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.15 -47.59 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.41 97.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.801 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -63.22 -35.95 82.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.894 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 4.7 t -61.65 -54.41 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -42.55 84.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -40.86 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.894 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.6 m-30 -69.33 -34.97 75.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.78 -42.43 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.51 -46.11 87.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' CZ ' ' OH ' ' A' ' 77' ' ' TYR . 6.8 mtt-85 -75.85 -38.97 57.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.64 34.84 18.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 77.48 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 158.21 -48.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.0 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -107.56 112.03 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.536 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.52 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 7.4 mm -94.69 131.66 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.61 142.89 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -116.16 92.97 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.575 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -96.64 98.74 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.9 -107.4 1.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -111.95 6.43 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.665 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 14.2 m-30 -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.678 ' HD2' HG11 ' A' ' 55' ' ' VAL . 1.5 ttmp? -107.89 158.31 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.865 HG13 ' HB2' ' A' ' 85' ' ' TRP . 31.4 t -139.82 101.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.6 t80 -103.84 101.43 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.69 139.01 38.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.37 157.48 42.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.4 -57.89 0.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.654 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -107.32 157.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -102.04 55.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.654 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -108.05 121.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.036 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -109.21 105.76 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.508 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.8 t -76.85 138.88 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 139.06 -97.45 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.665 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -134.66 163.67 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 2.2 t80 -118.4 106.73 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 161.86 48.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . . . -141.96 -41.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.045 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.64 -175.62 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.7 m -123.85 89.14 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 1.032 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -52.44 -16.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.16 -48.73 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.75 -45.48 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.027 HD11 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -69.24 -48.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -58.29 -75.89 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.661 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.6 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.64 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.758 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 37.3 t -143.83 137.07 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.034 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.28 -112.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.075 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -167.23 -178.27 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.722 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.1 p90 -162.62 142.84 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.557 ' HE1' HD13 ' A' ' 135' ' ' LEU . 10.6 t80 -105.34 114.78 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 1.015 ' HB3' HD12 ' A' ' 136' ' ' LEU . 6.8 m-20 -93.14 130.33 38.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.551 ' HE ' ' HB3' ' A' ' 107' ' ' ALA . 0.5 OUTLIER -100.6 155.52 17.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 110' ' ' ILE . . . -54.87 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' ARG . . . -121.24 -55.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.933 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.42 -16.5 63.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.656 HD12 ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -71.03 -21.89 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.576 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -78.33 -49.02 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.572 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -66.69 169.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.572 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -74.99 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -75.57 -63.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -39.72 -59.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.686 ' O ' ' HG3' ' A' ' 119' ' ' ARG . 16.0 tpp -55.05 -46.94 75.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.997 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -55.04 -37.28 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 0.4 OUTLIER -65.71 -58.48 5.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -60.32 -17.57 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -79.15 -46.8 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.997 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 13.3 pt20 -67.43 -50.23 60.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.535 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 24.6 m170 -58.15 -42.83 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -63.35 -61.24 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.644 ' HG2' ' CD2' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -54.89 -20.52 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -72.57 -56.49 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.032 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -82.84 -3.23 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.674 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.1 mmt -65.91 175.24 1.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.674 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.1 Cg_endo -74.99 -160.13 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 201' ' ' VAL . 29.0 tp60 -110.85 -44.52 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.63 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -137.62 94.19 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 32.3 m -150.99 149.88 30.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.82 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -97.75 111.12 23.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.722 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -92.07 157.13 24.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.557 HD13 ' HE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -140.0 102.67 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.015 HD12 ' HB3' ' A' ' 105' ' ' ASP . 4.3 tp -82.63 135.42 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.862 HD13 ' HB ' ' A' ' 195' ' ' VAL . 2.5 mm -125.05 110.76 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 29.1 p -119.45 168.91 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.983 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -132.47 157.28 45.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -122.15 -34.32 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -69.84 -83.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.921 ' OD2' HD22 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -31.03 144.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.4 pt20 170.73 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.88 53.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 174.56 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.8 OUTLIER -97.17 131.34 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.994 ' N ' HD12 ' A' ' 146' ' ' LEU . 8.3 pt-20 -48.57 113.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.19 109.49 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.531 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -74.96 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.462 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 159.15 41.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 152' ' ' SER . 26.6 m-85 -117.97 22.0 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 152' ' ' SER . 0.6 OUTLIER 36.14 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.762 HG11 HH11 ' A' ' 117' ' ' ARG . 3.4 t -74.3 122.35 87.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.547 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.95 119.56 5.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 196' ' ' TYR . 6.2 tm0? -42.61 -36.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.547 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.1 t -56.33 -38.76 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.755 ' CH2' ' CG ' ' A' ' 117' ' ' ARG . 44.8 t90 -60.16 -52.65 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 162' ' ' MET . 1.4 mt -53.68 -37.13 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 163' ' ' SER . 3.9 t60 -76.66 -20.41 56.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.563 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.651 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.27 -35.99 27.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.747 HG11 ' CZ2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -113.32 -72.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.7 ' SD ' ' CE2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -39.29 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -48.89 115.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 110.3 75.71 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 15.2 m-20 145.71 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CE2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.84 137.59 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -92.54 94.26 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.602 HG12 HD23 ' A' ' 198' ' ' LEU . 29.5 m -76.77 132.53 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -124.24 124.13 41.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.435 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 124.39 14.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.992 HG22 ' H ' ' A' ' 172' ' ' GLY . 13.6 p -164.06 -172.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.992 ' H ' HG22 ' A' ' 171' ' ' VAL . . . 116.86 -156.1 15.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.41 138.65 5.96 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 176' ' ' THR . 15.2 mt-30 -102.35 158.6 16.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 t0 49.26 21.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.786 ' O ' HG23 ' A' ' 176' ' ' THR . 6.3 t -111.48 74.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.7 OUTLIER -73.67 -36.53 65.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 55.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 177' ' ' LEU . 69.1 m -156.3 -43.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.44 ' O ' HD22 ' A' ' 184' ' ' LEU . 9.1 t -84.72 109.3 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -48.78 -59.84 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 5.9 mmp_? -39.39 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.809 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.56 -63.79 3.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.647 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -60.56 -14.6 20.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -45.15 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.646 ' HB2' HD13 ' A' ' 146' ' ' LEU . . . -82.92 -36.07 25.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.82 65.2 0.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.968 HD13 HD21 ' A' ' 145' ' ' LEU . 2.9 mm? -84.19 -52.61 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 76.66 -1.55 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 167.12 116.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.983 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.4 OUTLIER -164.86 150.75 10.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -91.28 126.93 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 138' ' ' THR . 20.5 tt0 -118.17 120.41 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.35 122.7 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.967 ' CG2' HG13 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -119.36 165.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.866 ' HA ' HG12 ' A' ' 171' ' ' VAL . 5.0 m-85 -152.35 132.3 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.605 HG21 ' CG ' ' A' ' 12' ' ' TYR . 2.7 t -85.25 107.87 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.818 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -101.18 105.08 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.57 94.97 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -63.71 100.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.0 84.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.2 p -131.73 78.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' VAL . 0.8 OUTLIER 37.52 89.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -41.07 -39.48 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 54.7 m-20 -65.48 -56.06 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.821 HD23 HD23 ' A' ' 135' ' ' LEU . 2.3 tm? -45.39 -65.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -54.44 -34.37 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.07 -79.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' LEU . 72.9 m-85 -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.803 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.66 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 15.1 t -42.69 -36.25 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -81.51 -49.61 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.07 -44.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 25.3 t-20 67.81 44.18 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' VAL . 45.9 t -52.79 134.39 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.039 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.91 147.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.14 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.14 -5.79 27.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.039 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -39.46 155.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.897 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 9.0 mmt85 -81.1 124.14 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.11 HG11 HD13 ' A' ' 38' ' ' LEU . 30.6 t -106.04 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.817 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.8 tm? -107.64 138.23 44.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 25' ' ' LEU . 1.9 m -139.86 102.91 6.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.899 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 124.96 8.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.93 55.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.628 ' CB ' HG23 ' A' ' 26' ' ' VAL . 38.7 t -81.87 -35.38 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' HA2' ' CD ' ' A' ' 49' ' ' GLU . . . 76.18 24.32 69.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? 70.18 145.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -165.44 168.3 16.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.05 -32.69 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' CG ' ' CD1' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -60.3 -58.12 9.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.847 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.65 -46.9 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -32.56 74.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.833 ' HB2' HG21 ' A' ' 5' ' ' VAL . 46.3 t90 -65.53 -38.36 89.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.11 HD13 HG11 ' A' ' 24' ' ' VAL . 6.2 mt -65.32 -62.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.3 m -46.71 -38.59 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -29.76 69.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -80.49 -36.35 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.87 68.83 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -133.67 173.54 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -92.36 75.57 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.079 HG12 HD11 ' A' ' 82' ' ' ILE . 85.0 t -68.4 112.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.892 HG21 HD13 ' A' ' 97' ' ' ILE . 1.9 p -142.84 112.89 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.74 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -151.76 -172.01 20.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.072 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -142.65 162.11 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.26 137.66 54.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.717 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -94.81 66.57 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.674 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 38.8 t -152.16 139.77 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -97.93 -64.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.238 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.83 -26.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -68.57 -45.86 70.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.8 HG23 ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.14 -48.02 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 4.3 mt-10 -61.09 -47.28 87.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -61.06 -29.17 69.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.9 m-30 -72.07 -44.67 62.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.8 ' CE2' HG23 ' A' ' 55' ' ' VAL . 1.1 m-30 -65.04 -34.78 79.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -29.96 29.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.2 mm-40 -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -89.25 -32.87 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.78 40.34 96.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -118.03 -42.99 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 65.49 79.7 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.715 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -155.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -65.46 84.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.613 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.9 mm -87.95 127.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.87 151.63 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 m -108.32 107.48 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.55 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.17 -109.21 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.98 28.31 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 46.3 m-85 -142.62 173.44 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -124.73 169.01 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.968 HG13 ' HB2' ' A' ' 85' ' ' TRP . 97.3 t -142.74 97.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.72 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.0 t80 -95.84 100.75 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -110.04 120.8 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.02 155.16 47.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.85 -53.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.079 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -120.41 172.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.694 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -103.36 48.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -107.01 124.16 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.072 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -110.49 105.49 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 1.8 t -74.46 133.91 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.539 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 137.85 -101.18 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.58 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 13.8 p-10 -118.7 163.99 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.717 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -127.04 94.67 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.57 57.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.24 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.984 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -139.17 -34.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.984 ' N ' HD13 ' A' ' 92' ' ' LEU . 1.5 m 73.85 75.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.821 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -55.12 -12.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -75.41 -50.53 15.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -56.48 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.892 HD13 HG21 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -62.5 -36.67 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' ARG . . . -59.84 -78.75 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.622 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.7 t-160 62.72 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.603 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.782 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.9 p -143.89 143.76 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.985 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.02 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -169.47 179.53 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.7 p90 -160.38 139.5 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.58 ' CD1' ' CG ' ' A' ' 34' ' ' ASP . 9.9 t80 -97.9 118.37 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.795 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -97.65 127.05 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.94 8.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.627 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -72.99 87.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -119.72 -36.87 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 1.01 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -64.27 -35.34 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.592 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -69.96 -3.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -100.09 -40.05 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.88 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.5 mp -86.47 164.26 38.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.3 Cg_endo -74.96 -158.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -80.17 -66.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 3.9 t70 -39.8 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.88 ' HG2' HD23 ' A' ' 112' ' ' LEU . 6.7 tpp -51.48 -37.33 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.856 ' CZ ' ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -58.0 -61.34 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.532 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.4 mt-10 -49.72 -39.52 37.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -71.91 -26.42 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.833 ' OH ' HD21 ' A' ' 28' ' ' LEU . 45.4 t80 -77.78 -57.83 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -56.45 -43.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.536 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 8.4 pt20 -65.1 -48.76 72.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 31.6 m170 -57.55 -38.45 74.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.84 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -67.74 -64.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.536 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -50.68 -20.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.71 -54.37 6.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.821 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -87.24 5.6 37.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.84 ' CG ' HD13 ' A' ' 124' ' ' LEU . 3.9 mmt -73.09 174.38 4.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 tt0 -105.04 -45.86 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.69 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.65 97.97 3.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 60.2 m -147.34 156.25 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.841 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.47 107.69 19.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.682 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -88.51 149.96 21.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.923 HD13 HG22 ' A' ' 197' ' ' VAL . 12.4 tp -139.74 102.88 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.025 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -83.78 142.52 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 136' ' ' LEU . 5.1 mm -130.64 95.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.802 HG23 HD23 ' A' ' 136' ' ' LEU . 19.1 p -104.08 170.7 7.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -139.67 177.72 7.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -134.35 -81.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.579 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.9 m-85 -23.28 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -26.22 139.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 0.9 OUTLIER 175.0 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -118.58 47.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.963 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 177.98 -31.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.707 ' N ' HD22 ' A' ' 145' ' ' LEU . 3.9 tp -89.64 130.08 35.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -40.8 110.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.65 131.61 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -75.0 119.39 5.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.98 138.97 23.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -94.34 18.91 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.6 p 38.07 52.84 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.676 ' CG1' HG21 ' A' ' 138' ' ' THR . 9.1 p -37.55 116.42 0.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.873 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.6 Cg_endo -74.91 112.85 3.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -33.33 -44.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.873 HG22 ' HB2' ' A' ' 154' ' ' PRO . 5.0 t -44.48 -39.73 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.769 ' CE2' HG11 ' A' ' 161' ' ' VAL . 66.9 t90 -65.81 -42.18 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.798 HD21 HD22 ' A' ' 136' ' ' LEU . 7.0 mp -57.04 -41.58 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.539 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.5 t-80 -79.47 -18.5 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.682 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -78.67 -37.96 40.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.769 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.76 -70.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -37.92 -29.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 5.8 t -53.78 98.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.13 -58.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.936 ' O ' HG22 ' A' ' 201' ' ' VAL . 26.1 m-80 -134.07 -48.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.763 ' HZ3' HD12 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -77.45 97.98 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -63.06 95.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 198' ' ' LEU . 3.2 m -70.26 126.66 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -123.34 154.09 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -72.26 136.57 46.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.827 HG21 HG23 ' A' ' 197' ' ' VAL . 38.5 t -155.48 159.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.403 ' N ' ' CG1' ' A' ' 171' ' ' VAL . . . 51.09 -150.27 6.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 140.09 -77.92 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 176' ' ' THR . 0.0 OUTLIER -36.24 147.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 175' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' A' ' 191' ' ' MET . 5.2 p-10 -67.12 71.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.635 ' HG1' ' CD2' ' A' ' 178' ' ' HIS . 3.1 t -89.33 73.62 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -55.46 -39.8 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.635 ' CD2' ' HG1' ' A' ' 176' ' ' THR . 3.6 p-80 -53.83 -21.87 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.411 ' CB ' HG23 ' A' ' 176' ' ' THR . 8.5 t -69.74 -68.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 85.6 p -81.95 136.65 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -71.65 -29.11 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 1.061 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -64.9 -61.55 5.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 184' ' ' LEU . 1.3 mm? -68.76 -18.46 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.619 ' HB3' HD13 ' A' ' 146' ' ' LEU . . . -81.5 -29.46 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.04 74.34 1.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 1.061 HD23 ' HA2' ' A' ' 183' ' ' GLY . 3.6 mm? -88.96 -52.88 4.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.753 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 80.27 -4.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 2.4 mtt180 159.56 106.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.708 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.37 141.2 24.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.9 OUTLIER -58.59 132.72 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.455 ' HB2' ' CE ' ' A' ' 191' ' ' MET . 49.1 tt0 -129.71 116.01 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -107.23 123.13 47.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 137' ' ' ILE . 32.2 t -113.15 161.67 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.681 ' O ' HD12 ' A' ' 135' ' ' LEU . 19.8 m-85 -151.68 146.7 25.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.923 HG22 HD13 ' A' ' 135' ' ' LEU . 14.0 t -106.34 105.07 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.922 ' N ' HD23 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.05 99.61 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.11 95.04 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -63.55 87.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 165' ' ' ASN . 29.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -140.54 86.89 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.712 HG21 ' CB ' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -131.94 78.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 36.58 96.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' CE ' ' HA3' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -46.84 -35.29 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.567 ' CG ' HG21 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -65.41 -48.43 72.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.56 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.1 tm? -55.4 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -55.6 -28.28 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.6 tt0 -67.49 -80.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.876 ' CE2' HG21 ' A' ' 171' ' ' VAL . 51.3 m-85 -44.07 -54.89 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.832 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -49.7 -52.64 29.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.6 m -50.68 -36.74 37.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -88.34 -62.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.7 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.7 mt -34.89 -52.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 45.8 t-20 65.15 39.51 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG12 ' CB ' ' A' ' 22' ' ' ALA . 80.3 t -41.43 142.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.107 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -39.97 149.47 0.28 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 110.96 -10.02 29.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.107 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.03 156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.92 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 12.1 tpp180 -80.94 117.76 21.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 1.085 HG11 HD13 ' A' ' 38' ' ' LEU . 21.5 t -104.99 102.01 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.809 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 1.9 tm? -87.03 135.18 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.779 HG12 ' HB3' ' A' ' 104' ' ' TYR . 32.3 m -140.35 103.3 6.61 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.725 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 139.36 24.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.725 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 17.36 56.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -82.76 -35.1 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 80.94 24.94 57.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' GLY . 19.4 ttmt 49.1 97.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' A' ' 181' ' ' ALA . 0.5 OUTLIER -117.24 -176.43 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.944 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -52.16 -29.86 24.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CG ' ' CD2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -63.86 -58.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.637 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -53.34 -39.7 64.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -71.31 -31.02 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.712 ' CB ' HG21 ' A' ' 5' ' ' VAL . 17.1 t90 -72.79 -35.07 67.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.085 HD13 HG11 ' A' ' 24' ' ' VAL . 12.0 mt -72.04 -57.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.5 t -53.26 -39.88 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.58 91.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 1.3 mm-40 -70.06 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.83 54.24 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.419 1.074 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -117.72 173.97 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 21' ' ' GLY . 16.5 m170 -93.88 78.72 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.953 HG12 HD11 ' A' ' 82' ' ' ILE . 95.2 t -73.43 119.0 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.945 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -142.93 102.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.717 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -137.16 -172.67 12.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.994 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -134.24 168.76 18.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -128.41 129.64 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.89 71.74 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -152.14 134.32 15.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 56' ' ' GLU . 1.8 mp0 -97.07 -43.22 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.61 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.94 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.66 HG23 ' SG ' ' A' ' 86' ' ' CYS . 1.2 t -65.27 -49.8 76.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -60.21 -44.6 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -58.24 -41.56 84.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -62.61 -43.34 99.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.694 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 3.7 m-30 -74.93 -18.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -81.96 -37.92 25.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 -41.98 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -82.41 -32.4 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 66.92 45.09 86.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.1 mt-10 77.55 144.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.617 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER 156.38 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.98 171.84 17.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 95.75 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.694 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 24.3 mm -97.75 119.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -126.25 143.33 51.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m -84.96 141.76 30.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.51 ' HG3' ' HB2' ' A' ' 91' ' ' ALA . 1.3 mm-40 -143.51 85.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.99 -112.01 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t0 -100.51 37.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 0.723 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CG ' ' HB2' ' A' ' 88' ' ' ASP . 67.8 m-85 -159.0 173.4 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.653 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 ttmt -128.5 169.79 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.567 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.1 m -142.99 110.38 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.713 ' CD2' ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -104.75 101.37 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.35 160.95 14.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.09 157.81 72.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.13 9.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.12 -49.05 6.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.953 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -122.22 158.41 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.642 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -100.23 53.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.67 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -106.69 111.03 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.994 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -98.9 100.58 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.976 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.66 ' SG ' HG23 ' A' ' 55' ' ' VAL . 9.1 t -71.56 141.88 50.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.4 -99.25 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.561 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 2.8 t70 -128.2 163.62 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.713 ' HA ' ' CZ3' ' A' ' 85' ' ' TRP . 9.7 t80 -121.6 108.63 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 160.31 47.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . . . -138.1 -44.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.033 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.41 -178.71 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.844 ' O ' HG22 ' A' ' 97' ' ' ILE . 3.9 m -126.38 80.17 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.809 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -44.35 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.1 ttt180 -76.78 -55.39 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.73 -52.18 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.945 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -64.86 -50.73 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -52.18 -78.65 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.1 t-160 71.17 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.774 . . . . 0.0 109.568 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.766 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 56.8 m -145.01 143.16 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.986 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.6 -108.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.832 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -165.65 176.84 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.629 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -152.73 120.6 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.779 ' HB3' HG12 ' A' ' 26' ' ' VAL . 72.2 t80 -100.49 132.92 45.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 4.7 t0 -126.1 155.97 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.6 172.11 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.513 ' HB1' HG12 ' A' ' 110' ' ' ILE . . . -50.92 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -134.44 -66.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.652 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.4 OUTLIER -55.58 -24.94 35.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 150' ' ' PRO . 2.8 pp -59.76 -28.79 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.596 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -73.7 -55.94 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.617 HD13 ' HG3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -63.62 166.34 9.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.601 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 178.11 7.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -57.67 -65.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -38.88 -53.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.617 ' HG3' HD13 ' A' ' 112' ' ' LEU . 37.2 tpp -61.93 -42.62 99.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.916 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -55.72 -42.79 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.667 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.8 mt-10 -65.76 -45.0 84.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 1.0 OUTLIER -65.76 -26.11 67.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.46 ' CE1' ' HE3' ' A' ' 109' ' ' MET . 12.8 t80 -74.73 -53.42 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.8 m -60.07 -47.71 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.513 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 2.5 pt20 -59.61 -47.41 85.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 20.2 m170 -57.14 -37.61 72.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.634 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.737 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -67.79 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.513 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -52.67 -18.22 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.32 -59.86 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.613 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -88.81 19.22 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.737 ' CG ' HD13 ' A' ' 124' ' ' LEU . 1.5 mmt -84.09 177.04 3.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.727 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.2 Cg_endo -75.04 -162.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 201' ' ' VAL . 1.0 OUTLIER -108.92 -47.48 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.766 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -131.88 98.23 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.536 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -155.73 154.25 31.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 108.273 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.777 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.9 p -102.87 110.93 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -90.95 152.84 21.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 196' ' ' TYR . 15.4 tp -141.53 98.62 3.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.811 HD22 HG23 ' A' ' 138' ' ' THR . 0.4 OUTLIER -80.88 133.32 35.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.794 HD13 ' HB ' ' A' ' 195' ' ' VAL . 6.2 mm -121.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.811 HG23 HD22 ' A' ' 136' ' ' LEU . 3.1 p -104.19 158.65 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.909 HD12 HD23 ' A' ' 146' ' ' LEU . 0.3 OUTLIER -89.55 176.7 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 mm-40 -137.08 -111.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' A' ' 140' ' ' GLU . 13.0 t80 -25.25 -62.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.582 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -29.26 144.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.499 ' HA ' ' CD ' ' A' ' 150' ' ' PRO . 7.2 pt20 -179.57 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.467 ' C ' HD12 ' A' ' 145' ' ' LEU . . . -122.77 61.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 171.65 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.909 HD23 HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -83.01 128.25 34.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 146' ' ' LEU . 18.4 mt-10 -43.87 102.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.478 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.29 148.17 22.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.662 ' HB3' HD13 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.93 160.29 40.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 113' ' ' PRO . 6.8 m-85 -115.04 14.16 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 151' ' ' PHE . 99.9 p 35.36 48.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.615 HG11 HG21 ' A' ' 138' ' ' THR . 6.6 p -37.03 111.49 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.1 Cg_endo -75.01 133.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -46.02 -47.42 16.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.3 OUTLIER -48.05 -43.66 30.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.655 ' CE2' HG11 ' A' ' 161' ' ' VAL . 45.8 t90 -62.29 -46.41 88.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -56.63 -40.19 74.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.618 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.4 OUTLIER -77.78 -17.36 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.749 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.84 -38.02 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.749 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.13 -58.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.702 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.74 6.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.68 ' H ' ' C ' ' A' ' 161' ' ' VAL . 32.3 t -103.7 101.24 11.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 155.36 54.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.583 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 4.8 m-20 149.75 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.702 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.76 130.16 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.007 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.3 OUTLIER -86.46 92.7 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 1.048 HG13 HD22 ' A' ' 198' ' ' LEU . 51.0 t -79.21 135.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.937 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.95 134.34 50.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 127.28 28.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 1.005 HG12 ' HA ' ' A' ' 196' ' ' TYR . 11.9 p -164.09 -173.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.958 ' H ' HG22 ' A' ' 171' ' ' VAL . . . 111.9 -150.04 18.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.504 ' HA3' ' CE ' ' A' ' 7' ' ' LYS . . . -163.1 138.75 5.5 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 176' ' ' THR . 0.8 OUTLIER -97.65 162.78 13.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 46.56 24.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.744 ' O ' HG23 ' A' ' 176' ' ' THR . 14.5 t -104.35 74.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.2 tm? -61.59 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.93 -42.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.447 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.0 t -90.59 108.57 19.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' A' ' 32' ' ' SER . . . -45.5 -54.22 7.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -46.2 -26.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.8 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -58.99 -48.08 87.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.484 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.4 OUTLIER -81.95 -20.31 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.803 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.75 53.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.883 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -107.84 -40.24 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.74 1.24 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.883 HD11 ' HB3' ' A' ' 186' ' ' ALA . 1.1 mp -105.2 -16.54 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.514 ' CA ' ' HG ' ' A' ' 177' ' ' LEU . 13.5 pm0 36.36 31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.543 ' N ' ' HG ' ' A' ' 177' ' ' LEU . 0.3 OUTLIER 157.26 105.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.693 ' SD ' HD13 ' A' ' 188' ' ' LEU . 2.5 ptt? -167.29 154.0 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 23.3 t0 -93.65 139.76 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 36.8 tt0 -125.21 118.3 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -102.03 123.19 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.964 ' CG2' HG13 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -122.48 165.91 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 1.005 ' HA ' HG12 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -148.54 144.21 27.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.937 HG12 HG22 ' A' ' 169' ' ' THR . 2.8 p -101.69 107.25 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 1.048 HD22 HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -95.91 133.53 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.521 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -96.68 91.61 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -61.01 95.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.4 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.57 84.51 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.585 HG13 ' OE1' ' A' ' 10' ' ' GLN . 1.5 p -131.72 139.13 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.653 ' OD1' HG21 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -33.24 99.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.11 -30.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.633 ' OD2' HG21 ' A' ' 195' ' ' VAL . 2.3 m-20 -69.03 -61.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.768 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.3 tm? -45.28 -58.87 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.585 ' OE1' HG13 ' A' ' 5' ' ' VAL . 10.3 pt20 -57.83 -39.7 78.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 49.5 tt0 -69.76 -76.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 171' ' ' VAL . 55.2 m-85 -43.82 -54.42 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.994 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.6 t-105 -53.63 -50.99 64.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.4 t -53.25 -28.95 30.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 t -86.23 -44.05 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.053 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.582 HD13 ' CB ' ' A' ' 133' ' ' SER . 2.2 mt -54.37 -33.6 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LEU . 51.1 t30 39.4 39.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 19' ' ' VAL . 10.6 p -47.5 155.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.038 HG23 ' HB2' ' A' ' 22' ' ' ALA . 10.8 m -31.63 144.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.99 4.18 56.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.038 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -44.94 159.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.912 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 12.2 mmt85 -81.18 116.98 21.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.964 HG11 ' HG ' ' A' ' 38' ' ' LEU . 91.3 t -103.28 111.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.811 HD12 HD11 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -84.24 152.71 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.995 HG13 ' HB2' ' A' ' 29' ' ' CYS . 2.1 t -139.16 89.79 12.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.04 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 41.73 27.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.995 ' HB2' HG13 ' A' ' 26' ' ' VAL . 90.6 m -100.63 -15.99 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.882 ' O ' HG11 ' A' ' 26' ' ' VAL . . . 57.61 -114.23 5.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 18.4 mttt -111.01 -94.55 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.743 ' HB3' ' HB2' ' A' ' 181' ' ' ALA . 17.4 m 74.71 167.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -36.11 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.86 -58.02 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.855 ' HG2' HG11 ' A' ' 45' ' ' VAL . 2.1 tmt? -53.47 -53.47 51.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 m -56.97 -29.27 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.551 ' HD1' HG11 ' A' ' 5' ' ' VAL . 10.2 t90 -73.67 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.964 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -66.5 -66.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -46.85 56.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.18 -17.3 16.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -96.04 -38.33 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.97 59.99 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.483 ' HE2' HG13 ' A' ' 18' ' ' VAL . 15.0 m-85 -129.61 164.32 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.433 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -80.43 83.32 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.855 HG11 ' HG2' ' A' ' 35' ' ' MET . 97.7 t -72.38 117.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.828 ' CG2' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -145.91 144.09 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.718 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 174.37 -177.35 46.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -123.97 157.76 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.91 97.56 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.963 HD21 ' HB3' ' A' ' 89' ' ' PHE . 1.5 mm? -69.43 75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -152.09 133.25 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -98.1 -53.45 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -34.99 78.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -70.31 -35.82 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 ' SG ' ' A' ' 86' ' ' CYS . 0.9 OUTLIER -62.04 -51.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.48 -43.34 97.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -37.12 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 1.7 m-30 -64.15 -44.03 93.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 55' ' ' VAL . 7.0 m-30 -71.21 -28.72 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -37.54 47.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.98 -45.27 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 29.8 mtt85 -77.58 -33.35 53.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.92 38.69 48.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 2.1 mt-10 74.21 146.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.9 OUTLIER 162.54 -48.77 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.91 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 110.77 23.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 77' ' ' TYR . 7.2 mm -106.6 123.16 61.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.741 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -124.47 151.0 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.8 m -107.49 101.43 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.534 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -89.56 85.42 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.62 -90.86 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.31 -13.89 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.2 m-85 -98.4 173.03 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.545 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.3 tttt -127.65 158.44 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.779 HG23 ' CB ' ' A' ' 85' ' ' TRP . 0.1 OUTLIER -142.28 107.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.03 102.91 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.51 142.87 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.36 155.93 49.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.34 3.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.09 -55.19 0.77 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.821 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -110.84 161.59 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.683 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -104.04 52.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.5 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -104.65 122.69 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.843 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -111.33 105.61 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.592 ' SG ' HG23 ' A' ' 55' ' ' VAL . 3.7 t -71.28 137.83 48.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.549 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 139.83 -105.22 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -133.11 164.22 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.963 ' HB3' HD21 ' A' ' 50' ' ' LEU . 1.9 t80 -114.53 102.58 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.617 ' CZ ' ' NE2' ' A' ' 123' ' ' HIS . 0.2 OUTLIER 169.3 56.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -154.68 -45.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.973 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.01 176.9 7.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 1.001 HG22 ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -111.48 86.8 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 1.033 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -51.18 -21.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 1.001 ' HG3' HG22 ' A' ' 93' ' ' THR . 5.7 ptm180 -81.2 -38.4 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.503 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 36.8 t0 -71.85 -36.48 70.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.828 HD12 ' CG2' ' A' ' 46' ' ' VAL . 1.7 pt -79.62 -53.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.575 ' HA3' ' HG3' ' A' ' 129' ' ' PRO . . . -54.62 -61.8 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.599 ' N ' ' HG3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 43.59 -90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.617 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.863 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 1.4 p -130.01 128.31 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.999 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 153.8 -111.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.994 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -173.38 -171.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.794 ' CE1' ' CA ' ' A' ' 134' ' ' GLY . 8.1 p90 -167.33 144.59 4.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.644 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 74.9 t80 -100.01 114.99 28.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.626 ' CG ' HD12 ' A' ' 136' ' ' LEU . 6.4 t0 -101.56 134.45 44.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 ttm180 -101.31 172.01 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.97 ' HB2' ' HA ' ' A' ' 138' ' ' THR . . . -70.79 93.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' HD23 ' A' ' 112' ' ' LEU . . . -118.48 -37.31 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.693 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.08 -28.65 68.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.679 HG22 ' HB ' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -71.45 -11.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.42 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -94.29 -51.37 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.584 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -76.1 167.18 38.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.99 160.51 40.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -46.96 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.5 m-20 -39.12 -52.59 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.58 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 28.5 tpp -60.33 -43.27 96.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.852 ' O ' HG13 ' A' ' 121' ' ' VAL . 14.0 mtt180 -56.25 -48.62 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.598 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.9 mt-10 -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -69.35 -22.08 63.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -79.59 -50.04 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -63.77 -38.39 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -69.31 -50.19 48.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.633 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 8.4 t-80 -58.26 -42.8 87.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.666 HD12 ' CZ3' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -59.47 -65.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -54.23 -20.39 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -68.83 -56.68 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 1.033 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.01 13.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.934 ' HE1' ' HB1' ' A' ' 94' ' ' ALA . 8.2 mmt -85.81 159.72 54.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.599 ' HG3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.02 -95.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.605 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -178.35 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.863 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -119.67 104.27 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.697 ' O ' ' CB ' ' A' ' 200' ' ' ARG . 1.2 m -173.15 129.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.903 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -83.89 107.39 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.794 ' CA ' ' CE1' ' A' ' 103' ' ' PHE . . . -86.26 134.69 12.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 1.083 HD13 HD11 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -130.21 98.52 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.059 ' O ' HD13 ' A' ' 137' ' ' ILE . 1.6 tp -83.16 143.47 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 1.083 HD11 HD13 ' A' ' 135' ' ' LEU . 5.9 mm -131.89 92.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.97 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 6.7 p -97.84 -178.89 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.46 ' CB ' ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -146.05 165.09 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.6 OUTLIER -127.9 -79.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.539 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.4 OUTLIER -25.75 -66.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.868 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.41 142.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.8 OUTLIER 174.06 -32.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.62 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.44 52.41 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.016 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 174.78 -29.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -88.27 115.82 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.72 ' N ' HD12 ' A' ' 146' ' ' LEU . 41.6 mm-40 -39.42 102.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.2 133.14 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.46 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.2 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -83.63 18.17 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 153' ' ' VAL . 10.2 p 35.82 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.97 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.679 ' HB ' HG22 ' A' ' 110' ' ' ILE . 9.8 p -34.51 121.95 0.55 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.74 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -74.95 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -40.31 -42.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.74 HG22 ' HB2' ' A' ' 154' ' ' PRO . 9.0 t -52.67 -35.0 54.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.616 ' CE2' HG11 ' A' ' 161' ' ' VAL . 84.4 t90 -62.45 -58.73 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.519 HD21 ' CE ' ' A' ' 109' ' ' MET . 1.9 mt -49.39 -40.21 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.564 ' O ' ' CB ' ' A' ' 163' ' ' SER . 53.0 t-80 -72.29 -23.14 61.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.599 ' CG ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.93 -33.99 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.642 HG22 ' N ' ' A' ' 162' ' ' MET . 0.2 OUTLIER -114.23 -72.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.642 ' N ' HG22 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -38.46 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 10.9 t -53.86 88.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 162.9 105.34 0.19 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.653 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 0.2 OUTLIER 96.23 -19.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.666 ' CZ3' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -146.32 130.99 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 107.974 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.0 mt-10 -92.0 91.79 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.813 HG12 ' HB3' ' A' ' 198' ' ' LEU . 2.5 m -68.18 133.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.898 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -125.79 113.22 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 140.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 1.009 HG11 HG23 ' A' ' 197' ' ' VAL . 0.3 OUTLIER -172.3 171.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.603 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 114.18 -167.82 12.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -167.34 -173.28 35.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 0.6 OUTLIER -113.7 154.5 27.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 70.95 17.17 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.974 HG23 ' HB3' ' A' ' 193' ' ' GLU . 2.4 t -116.86 74.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -82.13 -35.73 28.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.947 ' N ' HD13 ' A' ' 177' ' ' LEU . 0.9 OUTLIER -49.88 -46.06 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 178' ' ' HIS . 4.5 m -31.72 -56.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.452 ' N ' ' OE2' ' A' ' 193' ' ' GLU . 32.8 t -85.21 151.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.743 ' HB2' ' HB3' ' A' ' 32' ' ' SER . . . -85.03 -60.47 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 106' ' ' ARG . 0.6 OUTLIER -39.41 -36.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -58.1 -56.28 26.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.749 HD21 ' ND1' ' A' ' 178' ' ' HIS . 3.3 mt -57.75 -32.06 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.8 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -70.64 -31.11 67.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -87.02 -39.17 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.406 ' O ' HD23 ' A' ' 145' ' ' LEU . . . 101.3 66.25 0.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 1.016 HD13 HD21 ' A' ' 145' ' ' LEU . 3.7 mm? -92.24 -16.06 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 188' ' ' LEU . 6.0 pt-20 29.83 70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.949 ' H ' HD12 ' A' ' 177' ' ' LEU . 0.0 OUTLIER 70.71 99.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.694 ' HG3' ' HB3' ' A' ' 188' ' ' LEU . 4.1 mmt -147.95 155.49 41.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 t0 -48.88 114.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.974 ' HB3' HG23 ' A' ' 176' ' ' THR . 1.0 OUTLIER -121.66 121.6 37.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -93.1 150.44 20.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.748 ' C ' HG13 ' A' ' 171' ' ' VAL . 75.4 t -141.18 151.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.811 ' CZ ' HG23 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -146.32 125.2 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 1.009 HG23 HG11 ' A' ' 171' ' ' VAL . 51.9 t -97.21 93.3 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.813 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -96.51 109.63 22.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.574 ' O ' HG13 ' A' ' 201' ' ' VAL . 0.8 OUTLIER -79.21 98.93 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.887 ' CZ ' ' SD ' ' A' ' 128' ' ' MET . 11.2 ttm180 -62.97 98.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.8 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -137.89 84.9 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -131.64 78.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.583 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 32.05 97.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.95 -34.74 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -67.42 -51.61 49.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.749 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.7 tm? -49.99 -64.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.0 pt20 -57.57 -34.49 69.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.4 tt0 -68.81 -79.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 171' ' ' VAL . 48.6 m-85 -43.81 -54.6 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.969 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.1 t-105 -51.05 -55.33 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -45.83 -40.06 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -79.23 -49.66 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -39.25 -51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.0 t-20 67.31 39.55 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG12 ' CB ' ' A' ' 22' ' ' ALA . 75.2 t -50.79 142.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.137 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.75 150.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.73 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 107.86 -6.22 35.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.137 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -36.67 155.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.892 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 21.1 mmt-85 -81.41 114.6 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.553 HG13 ' HH2' ' A' ' 13' ' ' TRP . 12.0 t -105.76 108.77 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.742 HD23 ' HB2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.55 154.01 18.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 104' ' ' TYR . 31.4 m -151.86 103.22 2.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 1.027 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 128.09 11.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.027 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 35.58 35.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 23.2 t -127.12 33.08 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -32.4 -41.68 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' GLY . 3.3 tttp 41.38 -163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' MET . 0.3 OUTLIER -152.59 -44.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' OE1' ' HB2' ' A' ' 181' ' ' ALA . 0.0 OUTLIER -73.18 -38.66 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.7 t70 -62.52 -58.35 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.474 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 m -67.62 -36.02 80.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.58 ' HB2' HG21 ' A' ' 5' ' ' VAL . 44.4 t90 -68.25 -48.38 65.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 35' ' ' MET . 8.2 mt -59.73 -63.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -43.73 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.96 -28.86 71.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 38' ' ' LEU . 3.1 tp-100 -83.06 -30.0 28.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 102.4 71.3 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -142.52 170.44 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.1 97.68 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.844 HG12 HD11 ' A' ' 82' ' ' ILE . 21.3 t -88.32 99.5 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.4 p -136.12 106.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -136.29 -177.48 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 1.133 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -135.39 156.73 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -120.61 130.78 54.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -102.7 67.8 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.944 ' O ' HG13 ' A' ' 55' ' ' VAL . 44.0 m -153.5 95.49 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -58.39 -59.23 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.53 -38.68 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -59.1 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -57.09 -34.35 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-10 -64.14 -45.79 86.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 2.8 m-30 -73.03 -37.47 66.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 6.1 m-30 -76.04 -29.35 58.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.73 -35.46 33.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.86 -41.69 61.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 16.2 mtt85 -82.53 -34.93 27.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.84 37.26 26.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.7 mt-10 73.52 150.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.1 mt-30 161.97 -48.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.75 112.49 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.681 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 37.9 mm -107.19 121.14 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.639 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -123.82 147.42 47.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -104.73 104.47 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.454 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -92.23 85.61 5.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.61 -91.29 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.74 -6.7 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 21.4 m-85 -104.03 173.35 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.549 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.6 tttt -128.24 160.17 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 69' ' ' THR . 1.8 m -142.87 109.2 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.699 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -107.68 101.02 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.83 143.89 29.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.07 155.26 43.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 4.72 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.41 -47.0 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.844 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -132.99 172.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.235 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.711 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -100.94 51.49 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.521 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -106.4 114.04 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 1.133 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -101.26 102.31 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.629 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -70.54 140.01 51.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.752 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 137.27 -99.01 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -138.24 163.39 31.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 0.799 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.811 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 1.3 t80 -109.55 106.52 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.1 OUTLIER 178.0 45.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 176.87 59.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -143.73 -32.04 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.988 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 65.29 74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.687 ' O ' ' HA3' ' A' ' 98' ' ' GLY . . . -55.96 -12.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.988 ' HG2' HG22 ' A' ' 93' ' ' THR . 16.1 ptt180 -79.84 -49.44 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.227 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 5.9 t0 -69.47 -51.13 38.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.917 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -71.65 -34.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.687 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -65.73 -76.31 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.788 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.02 -84.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.571 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.792 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 32.1 p -143.33 141.37 30.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.915 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.12 -106.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.969 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -171.41 172.23 5.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.742 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 p90 -155.89 117.54 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 1.051 ' CZ ' HD13 ' A' ' 137' ' ' ILE . 3.7 t80 -91.18 144.28 25.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' OD1' ' CG ' ' A' ' 27' ' ' PRO . 3.0 m-20 -128.11 140.31 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -104.82 172.25 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.976 ' CB ' HD11 ' A' ' 139' ' ' LEU . . . -49.65 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.84 -48.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.888 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.88 -22.17 65.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 1.029 HG22 HG23 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -72.36 -3.87 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -126.28 20.26 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.957 HD23 ' CG ' ' A' ' 116' ' ' MET . 1.2 mp -129.45 148.55 69.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.621 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 154.81 42.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -41.19 -66.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 114' ' ' ALA . 15.1 t70 -39.32 -48.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.957 ' CG ' HD23 ' A' ' 112' ' ' LEU . 9.6 tpp -69.37 -33.97 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.925 ' O ' HG13 ' A' ' 121' ' ' VAL . 2.4 mmp_? -57.61 -52.64 64.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.718 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.3 mt-10 -64.94 -48.86 72.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.66 -24.26 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.573 ' OH ' HD21 ' A' ' 28' ' ' LEU . 37.9 t80 -81.71 -60.27 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -56.43 -33.36 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 6.7 pt20 -74.9 -49.57 19.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.537 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 19.7 t60 -58.22 -34.76 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.733 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -69.36 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.549 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.2 OUTLIER -51.66 -20.49 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -82.01 1.72 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.761 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.0 mmt -64.49 178.85 0.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.788 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.01 -99.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 201' ' ' VAL . 2.8 mt-30 174.47 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.792 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -123.7 83.25 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 1.7 p -151.61 170.82 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.783 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -115.6 110.67 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.695 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -87.63 138.59 15.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.724 HD13 HG23 ' A' ' 197' ' ' VAL . 6.5 tp -128.12 100.17 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.888 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -87.46 140.73 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 1.051 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 3.0 mp -135.12 114.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.602 ' HB ' HG21 ' A' ' 110' ' ' ILE . 29.5 p -120.1 -174.34 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.976 HD11 ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -134.58 -86.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -21.11 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.663 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -29.54 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 3.1 pt20 167.85 -28.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.73 47.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.002 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 176.03 -30.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 145' ' ' LEU . 1.8 tp -89.02 120.53 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.7 101.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 95.67 122.46 3.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.07 125.26 9.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -85.59 30.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 151' ' ' PHE . 1.7 p 26.24 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 1.029 HG23 HG22 ' A' ' 110' ' ' ILE . 1.7 t -62.73 127.24 90.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.756 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -74.97 111.99 3.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.645 ' HG2' ' CE1' ' A' ' 196' ' ' TYR . 1.3 mt-30 -39.64 -30.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.756 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -65.51 -37.57 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.607 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 9.7 t90 -63.66 -43.26 97.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.803 HD21 HD13 ' A' ' 136' ' ' LEU . 2.3 mp -61.2 -57.36 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 163' ' ' SER . 3.5 t60 -62.04 -17.16 56.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.519 ' HG2' ' N ' ' A' ' 161' ' ' VAL . 10.6 ttm180 -78.92 -60.47 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.718 HG21 ' HG2' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -96.16 -49.71 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.656 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -58.92 5.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.643 ' H ' ' C ' ' A' ' 161' ' ' VAL . 48.0 t -108.82 97.08 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 171.68 46.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.6 m120 149.88 -14.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.656 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.72 120.77 10.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.578 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.9 mt-10 -74.57 89.51 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.75 HG12 ' HB3' ' A' ' 198' ' ' LEU . 2.7 m -74.26 126.02 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.922 HG22 HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -120.74 145.37 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 196' ' ' TYR . 10.2 pttt -69.43 141.59 54.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.67 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -170.69 167.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.563 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.03 -159.05 16.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.604 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 178.14 179.61 48.2 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.589 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 18.5 pt20 -109.52 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.13 10.84 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.632 ' O ' HG23 ' A' ' 176' ' ' THR . 10.2 t -116.56 74.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 177' ' ' LEU . 0.6 OUTLIER -70.2 -39.22 75.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.418 ' N ' HD12 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -53.47 -19.61 3.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.6 p -57.56 -27.08 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.42 160.99 33.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.407 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . . . -86.8 -29.64 22.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -20.3 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 1.044 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -61.39 -54.07 39.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.68 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -83.1 -15.98 48.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -38.09 70.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.591 ' CB ' HD13 ' A' ' 146' ' ' LEU . . . -106.52 -31.94 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.8 73.47 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 1.044 HD23 ' HA2' ' A' ' 183' ' ' GLY . 3.8 mm? -86.22 -51.11 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.401 0.707 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 15.5 mm-40 76.56 -3.37 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 159.05 102.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.464 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -145.61 155.23 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -81.01 128.75 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.604 ' O ' ' O ' ' A' ' 173' ' ' GLY . 1.0 OUTLIER -120.43 116.88 26.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -91.99 155.78 17.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.59 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.864 HG22 HG13 ' A' ' 137' ' ' ILE . 55.1 t -146.25 148.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.729 ' O ' HD23 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -141.32 114.6 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.922 HG12 HG22 ' A' ' 169' ' ' THR . 6.0 p -88.3 98.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.75 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -100.24 126.12 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.1 tt0 -92.6 104.73 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.671 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -68.81 98.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.5 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -140.4 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.6 p -131.69 78.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.534 ' C ' ' O ' ' A' ' 5' ' ' VAL . 2.1 t-20 28.9 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.71 -36.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.536 ' OD2' HG21 ' A' ' 195' ' ' VAL . 1.3 m-20 -64.72 -53.4 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.605 HD23 ' CE1' ' A' ' 104' ' ' TYR . 3.2 tm? -50.63 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 14' ' ' SER . 17.1 pt20 -53.83 -34.39 59.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.3 tp60 -70.54 -76.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.524 ' CE2' HG21 ' A' ' 171' ' ' VAL . 25.7 m-85 -43.83 -52.39 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.941 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 3.7 t-105 -55.06 -50.95 67.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -51.46 -31.94 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -55.08 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.35 -42.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 45.67 32.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.506 HG13 ' HE2' ' A' ' 43' ' ' TYR . 10.9 p -44.37 154.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 1.115 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -32.78 143.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.32 2.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 43' ' ' TYR . . . 103.76 0.98 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.115 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -41.13 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.964 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.2 mmt85 -81.94 113.39 19.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.842 HG11 ' CD2' ' A' ' 38' ' ' LEU . 5.0 t -104.46 113.28 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.953 HD22 ' HE1' ' A' ' 128' ' ' MET . 0.1 OUTLIER -93.05 153.46 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.867 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -139.88 91.13 10.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.955 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.977 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 31.8 68.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.779 ' CB ' HG23 ' A' ' 26' ' ' VAL . 4.5 t -117.64 -33.74 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.86 -100.89 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.432 1.083 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HE3' ' CZ ' ' A' ' 58' ' ' TYR . 8.4 pttp -179.41 130.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.9 -153.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 1.1 mp0 -71.54 -20.63 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -65.48 -57.91 7.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -69.25 -35.6 76.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -67.91 -28.79 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CE3' HD12 ' A' ' 38' ' ' LEU . 9.4 t90 -77.7 -42.33 34.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.842 ' CD2' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -56.75 -64.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -58.66 -51.91 67.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.89 -17.91 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -94.08 -37.46 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.75 60.38 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.506 ' HE2' HG13 ' A' ' 18' ' ' VAL . 20.8 m-85 -138.97 165.79 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.412 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -81.68 99.92 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.799 HG12 HD11 ' A' ' 82' ' ' ILE . 42.8 t -93.38 97.09 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.931 HG13 HD12 ' A' ' 97' ' ' ILE . 2.3 p -132.47 117.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.867 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -153.93 -172.67 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.905 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -145.75 167.18 23.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -122.35 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.692 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 2.2 mm? -96.03 63.45 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.686 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 37.8 m -151.99 143.39 23.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -98.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.06 -23.66 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -70.38 -46.56 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -61.25 -48.78 87.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 mt-10 -60.48 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -64.13 -26.33 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.554 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -73.2 -44.25 60.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.26 -32.13 71.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -39.08 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 57' ' ' ARG . 6.6 mm-40 -61.72 -45.96 91.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB3' ' HG2' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -84.37 -38.5 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.8 42.77 44.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 66' ' ' PRO . 3.2 pt-20 -147.13 62.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.3 pt20 -32.49 93.49 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.666 ' HG2' ' CD2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.0 -154.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -65.55 78.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.662 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 48.1 mm -92.18 117.44 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.658 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -126.71 143.18 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.379 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 24.9 t -99.73 117.23 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -106.74 85.54 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.78 -97.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t0 -113.31 27.85 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 88' ' ' ASP . 19.7 m-85 -140.62 172.76 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.9 tttp -129.31 161.06 31.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.658 HG13 HG22 ' A' ' 69' ' ' THR . 1.3 m -142.09 106.33 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.818 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -102.23 101.55 11.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.72 156.6 40.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.05 -64.41 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.799 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -99.03 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.678 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -109.79 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.574 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -107.03 119.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.905 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -109.42 109.64 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 77' ' ' TYR . 1.6 t -75.09 141.85 43.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.47 -94.22 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.657 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 3.9 t70 -135.39 161.83 34.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.863 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -137.52 128.76 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.699 ' HB3' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 168.57 -22.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.417 ' N ' ' CD1' ' A' ' 90' ' ' PHE . . . -109.24 59.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -146.09 -28.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.94 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 70.17 90.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.898 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -58.7 -14.25 8.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.94 ' HG2' HG22 ' A' ' 93' ' ' THR . 19.1 ptt180 -83.07 -43.4 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.88 -45.9 91.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.931 HD12 HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -78.71 -51.09 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -53.43 -72.8 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.696 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 8.0 t-80 55.53 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 30.2 p -143.98 132.1 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.979 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 149.32 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.941 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -166.94 -178.36 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.721 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.8 p90 -162.91 127.01 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.605 ' CE1' HD23 ' A' ' 9' ' ' LEU . 8.3 t80 -93.23 113.29 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 106' ' ' ARG . 49.0 t0 -99.16 134.16 42.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -96.12 172.15 8.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.963 ' HB1' HD11 ' A' ' 110' ' ' ILE . . . -67.45 94.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -126.25 -38.36 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.571 ' HB2' ' NH2' ' A' ' 117' ' ' ARG . 7.7 mmt -63.73 -37.9 89.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.963 HD11 ' HB1' ' A' ' 107' ' ' ALA . 9.8 pt -65.34 -12.02 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -88.93 7.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -140.42 166.78 20.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -74.97 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.64 -63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 38.3 t0 -39.67 -61.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.553 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 18.2 tpp -54.9 -39.84 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.772 ' CZ ' HG21 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -55.52 -55.87 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 4.5 mt-10 -65.58 -23.35 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.6 OUTLIER -69.59 -55.49 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 2.3 t80 -72.51 -34.53 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.726 HG22 ' CE ' ' A' ' 162' ' ' MET . 1.2 t -60.33 -58.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.61 ' N ' HG12 ' A' ' 121' ' ' VAL . 12.2 pt20 -58.55 -49.47 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.445 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 3.5 m170 -55.08 -36.56 65.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.664 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -67.43 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.518 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 1.5 pp20? -51.27 -19.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.57 -52.24 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.5 -4.82 59.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.953 ' HE1' HD22 ' A' ' 25' ' ' LEU . 5.6 mmt -60.53 174.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.696 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.04 -165.11 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -101.3 -49.36 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.675 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.28 97.54 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 35.9 m -150.29 154.7 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 108.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.785 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -97.73 107.72 20.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.68 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.69 146.28 18.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.64 108.16 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.596 HD12 HD21 ' A' ' 198' ' ' LEU . 0.4 OUTLIER -89.7 136.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.528 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 13.0 mm -118.79 93.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.551 HG23 HD22 ' A' ' 136' ' ' LEU . 34.5 p -105.19 174.0 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.985 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -141.87 179.11 7.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' TYR . 5.7 mt-10 -136.3 -73.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.498 ' O ' ' C ' ' A' ' 142' ' ' ASP . 68.8 t80 -32.43 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.7 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.4 OUTLIER -31.98 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.8 pt20 164.87 -21.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -132.67 48.73 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.867 HD21 ' CG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 178.21 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.748 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -86.28 166.07 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.438 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -64.68 110.26 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.63 142.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.08 119.72 5.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.538 ' HB3' HD12 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.94 132.7 15.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.3 OUTLIER -78.81 13.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' PHE . 11.9 p 35.83 54.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.772 HG21 ' CZ ' ' A' ' 117' ' ' ARG . 11.8 p -46.72 122.29 7.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.782 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.6 Cg_endo -74.95 129.08 12.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.623 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 20.5 tp60 -43.6 -39.55 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.782 HG22 ' HB2' ' A' ' 154' ' ' PRO . 10.2 t -56.48 -31.67 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.664 ' CZ3' ' NH1' ' A' ' 117' ' ' ARG . 36.9 t90 -66.55 -55.78 13.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.5 mt -55.83 -28.08 54.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.688 ' O ' ' CB ' ' A' ' 163' ' ' SER . 27.7 t-80 -84.59 -21.06 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.645 ' CG ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -84.21 -34.44 23.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.16 -63.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.726 ' CE ' HG22 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -56.23 6.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.688 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 41.7 t -99.01 95.31 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 154.09 51.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.097 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 201' ' ' VAL . 3.5 m-20 155.09 -24.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.2 116.09 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 107.984 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.94 99.11 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.872 HG13 ' HG ' ' A' ' 198' ' ' LEU . 0.4 OUTLIER -87.6 131.74 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.867 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -123.9 145.06 49.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -68.48 134.09 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -160.74 165.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 95.41 -143.72 16.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.19 -165.78 33.91 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.1 pp0? -110.6 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 175' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 0.6 OUTLIER 74.93 6.19 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 176' ' ' THR . 10.3 t -115.68 74.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 1.067 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -83.43 -34.34 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.473 ' N ' HD13 ' A' ' 177' ' ' LEU . 4.5 p80 -58.39 -42.35 86.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.642 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -65.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 191' ' ' MET . 26.1 t -72.96 121.18 19.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.08 91.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.4 ' NH2' ' NZ ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -46.4 -41.05 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.542 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -58.75 -62.78 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.87 -36.23 16.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 185' ' ' LYS . . . . . 0.4 ' NZ ' ' NH2' ' A' ' 182' ' ' ARG . 3.0 tttp -59.16 -53.76 54.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -68.48 -40.04 81.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.11 76.84 1.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.867 ' CG ' HD21 ' A' ' 145' ' ' LEU . 2.0 mp -111.53 -22.03 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 177' ' ' LEU . 16.0 pt-20 37.21 30.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 189' ' ' GLU . 0.2 OUTLIER 159.7 96.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.985 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -150.69 153.67 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 5.3 m-20 -83.97 122.12 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 173' ' ' GLY . 23.4 tt0 -114.43 114.3 25.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -99.54 123.05 43.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.654 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.567 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 42.6 t -112.44 150.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.664 ' HB3' HG12 ' A' ' 168' ' ' VAL . 14.2 m-85 -143.02 117.64 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.867 HG12 HG22 ' A' ' 169' ' ' THR . 2.3 p -84.83 100.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.872 ' HG ' HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -99.28 96.61 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 100.58 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.579 ' CD ' ' HB3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -66.51 105.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' ASN . 16.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.47 84.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -131.1 78.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.517 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 1.6 t-20 32.94 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.38 -35.0 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' TYR . 12.1 m-20 -65.89 -50.27 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.3 tm? -53.49 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 14' ' ' SER . 5.4 pt20 -56.33 -31.17 63.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 6.7 tp60 -73.26 -77.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.899 ' CE1' HG21 ' A' ' 197' ' ' VAL . 27.3 m-85 -43.89 -47.03 8.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.108 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.4 t-105 -61.59 -49.11 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -51.14 -42.7 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . 3.2 m -79.13 -48.12 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -42.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 61.92 57.47 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 90.9 t -70.6 139.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.891 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.1 p -42.69 145.42 0.86 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.82 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 45.63 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.52 33.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.059 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -90.88 157.88 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.896 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.6 mmt85 -90.82 127.34 36.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.735 HG13 ' HH2' ' A' ' 13' ' ' TRP . 11.4 t -107.21 105.65 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.967 HD23 HD11 ' A' ' 97' ' ' ILE . 1.7 tm? -86.3 134.03 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.618 ' HB ' ' CB ' ' A' ' 29' ' ' CYS . 11.1 m -136.08 106.04 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 134.08 17.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.75 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 33.95 36.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.618 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 1.9 t -90.37 -35.01 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.5 ' HA2' HD12 ' A' ' 84' ' ' ILE . . . 64.2 -102.04 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -133.72 155.07 50.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.64 171.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -55.1 -32.55 62.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.48 -57.33 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.866 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -53.92 -51.65 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -58.6 -36.51 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.679 ' HB2' HG21 ' A' ' 5' ' ' VAL . 73.4 t90 -61.16 -48.18 82.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 35' ' ' MET . 6.6 mt -60.77 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 -34.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.47 -38.26 58.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' LEU . 21.2 mm-40 -74.57 -27.77 60.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.88 68.38 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -131.79 172.93 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.32 86.57 5.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.908 HG12 HD11 ' A' ' 82' ' ' ILE . 86.6 t -78.14 114.08 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.905 ' CG2' HD12 ' A' ' 97' ' ' ILE . 2.8 p -141.95 119.94 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.698 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -156.66 -172.45 23.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.989 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.45 164.04 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -123.2 131.79 53.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.851 HD21 ' HB3' ' A' ' 89' ' ' PHE . 1.5 mm? -99.54 73.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.783 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.58 135.79 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -98.36 -46.85 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.17 87.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -64.98 -33.94 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -64.8 -51.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.97 -42.6 98.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -62.08 -38.14 87.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -65.38 -41.72 93.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 3.8 m-30 -72.58 -26.68 61.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.15 -37.55 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -82.45 -34.83 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.55 36.85 28.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.4 mt-10 76.24 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 165.67 -51.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.07 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.02 106.83 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.427 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 14.1 mm -100.79 128.47 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.666 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.15 153.71 46.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.8 p -112.78 99.13 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.5 mm-40 -89.62 85.34 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.41 -91.66 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.09 -8.66 12.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 40.2 m-85 -102.8 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.569 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 7.9 tttt -128.73 161.83 28.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.666 ' CG1' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -142.7 110.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -110.62 102.31 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -103.09 139.36 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -109.78 165.21 13.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.2 Cg_endo -75.02 -43.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.15 21.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.908 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -117.32 162.03 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.661 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.02 57.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.666 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -112.23 124.47 68.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.989 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.85 100.21 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.519 ' SG ' HG23 ' A' ' 55' ' ' VAL . 5.0 t -70.11 140.16 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 134.35 -100.07 0.36 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 11.5 t70 -128.42 164.25 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.851 ' HB3' HD21 ' A' ' 50' ' ' LEU . 1.7 t80 -122.65 99.71 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.751 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 174.61 68.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.06 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 1.037 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.99 167.82 20.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.918 ' O ' HG23 ' A' ' 97' ' ' ILE . 2.4 m -113.98 86.76 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.856 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -50.32 -14.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 40.1 ttt180 -83.11 -43.18 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -74.46 -23.01 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.991 HD13 HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -92.8 -36.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.733 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -76.64 -68.02 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.71 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 6.3 p80 53.06 -72.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.772 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 14.6 p -141.14 137.24 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.059 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 144.53 -111.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.108 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -164.68 -175.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -159.53 125.15 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.863 ' CE2' HD13 ' A' ' 137' ' ' ILE . 46.0 t80 -103.85 126.86 51.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.626 ' CB ' HD12 ' A' ' 136' ' ' LEU . 29.0 t0 -113.55 145.81 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 171.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -53.04 100.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.438 ' HB3' ' NH2' ' A' ' 117' ' ' ARG . . . -130.28 -49.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.907 ' HE2' HD21 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -59.82 -34.99 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.723 HG21 ' HB ' ' A' ' 138' ' ' THR . 0.2 OUTLIER -62.58 -14.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.12 -40.46 10.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 1.009 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.9 mp -88.65 162.07 40.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.612 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -74.98 -153.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.446 ' HB1' ' HE1' ' A' ' 157' ' ' TRP . . . -85.24 -68.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 0.9 OUTLIER -40.32 -55.17 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . 1.009 ' HG2' HD23 ' A' ' 112' ' ' LEU . 1.3 tpt -51.34 -58.97 4.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 1.04 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -53.48 -32.88 52.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -61.42 -53.56 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -68.97 -20.88 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.465 ' OH ' HD21 ' A' ' 28' ' ' LEU . 6.3 t80 -76.94 -48.43 18.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 1.04 HG13 ' O ' ' A' ' 117' ' ' ARG . 2.6 m -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 10.7 pt20 -61.84 -50.34 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.546 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 1.8 m-70 -59.89 -36.35 76.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.719 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -66.33 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -50.33 -24.72 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -81.47 7.2 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.719 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.2 mmt -76.1 176.62 3.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.71 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -102.42 -45.17 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.72 97.57 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -149.87 152.01 34.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.797 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -97.11 108.62 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.534 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -86.76 151.5 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.901 HD13 HG22 ' A' ' 197' ' ' VAL . 54.1 tp -158.2 110.87 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.783 ' HB3' ' CE2' ' A' ' 196' ' ' TYR . 0.8 OUTLIER -100.75 147.23 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.863 HD13 ' CE2' ' A' ' 104' ' ' TYR . 2.5 mp -123.73 106.07 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.738 ' CG2' HD21 ' A' ' 136' ' ' LEU . 32.2 p -110.08 172.62 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -140.13 172.89 12.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 4.9 tt0 -126.35 -76.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.4 OUTLIER -23.13 -77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.792 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -28.27 146.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 2.4 pp0? 160.74 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.2 45.28 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.981 HD21 ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 175.86 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.241 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.92 153.45 21.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.53 ' H ' HD23 ' A' ' 146' ' ' LEU . 10.4 pt-20 -57.16 110.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 68.29 148.11 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -74.9 109.8 2.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.58 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.4 Cg_endo -75.01 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.559 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.4 t80 -92.39 81.78 4.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.0 OUTLIER -25.6 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 109' ' ' MET . 9.3 p -70.86 125.96 92.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.595 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.0 Cg_endo -75.03 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -40.57 -32.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.595 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.1 t -56.09 -34.93 66.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.669 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 58.8 t90 -64.54 -58.83 5.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.907 HD21 ' HE2' ' A' ' 109' ' ' MET . 1.4 mt -52.35 -28.03 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.713 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.9 t-80 -83.99 -22.25 31.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.638 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.6 OUTLIER -83.72 -33.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.687 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.31 -62.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.736 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.62 5.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.713 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 33.1 t -97.71 91.56 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 159.27 54.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.746 ' O ' HG22 ' A' ' 201' ' ' VAL . 7.1 m-20 152.31 -21.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 130.01 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 108.011 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.5 mt-10 -82.27 90.1 6.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.581 ' HA ' ' O ' ' A' ' 197' ' ' VAL . 1.7 m -69.95 157.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.5 OUTLIER -157.42 139.05 13.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.656 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.8 OUTLIER -71.63 149.87 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.965 HG11 HG23 ' A' ' 197' ' ' VAL . 0.2 OUTLIER -171.19 169.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 86.21 -151.95 25.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 166.21 -174.05 41.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 1.9 pt20 -101.86 163.51 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 175' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 9.2 t0 84.21 -9.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 176' ' ' THR . 9.0 t -107.24 74.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 1.056 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -90.95 -19.52 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -77.47 14.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 177' ' ' LEU . 11.0 t -99.98 -19.87 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' SER . . . . . 0.432 ' HB2' ' OE1' ' A' ' 193' ' ' GLU . 43.7 t -118.7 160.58 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -92.74 -32.38 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -46.37 -24.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.966 ' HA3' HD21 ' A' ' 177' ' ' LEU . . . -71.93 -49.8 21.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.458 ' H ' HD22 ' A' ' 184' ' ' LEU . 1.3 mm? -72.24 -15.67 61.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -57.79 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.712 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -74.72 -40.55 61.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 101.41 68.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.981 ' HG ' HD21 ' A' ' 145' ' ' LEU . 3.8 mp -110.22 -41.67 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 4.8 pt-20 50.42 24.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 168.34 108.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.66 ' CE ' HD23 ' A' ' 177' ' ' LEU . 1.1 ptt? -172.17 144.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.3 m-20 -66.85 134.71 52.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 173' ' ' GLY . 2.1 tt0 -124.77 115.24 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.1 OUTLIER -103.09 122.62 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.698 HG22 HG13 ' A' ' 137' ' ' ILE . 57.8 t -114.38 149.9 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 1.215 ' CE1' HD22 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -147.87 118.2 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.965 HG23 HG11 ' A' ' 171' ' ' VAL . 1.4 t -82.54 167.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 1.215 HD22 ' CE1' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -163.13 110.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -76.25 100.35 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.6 101.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -140.68 84.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.513 HG11 ' CD1' ' A' ' 37' ' ' TRP . 1.5 p -131.74 143.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.556 ' HA ' ' CB ' ' A' ' 179' ' ' SER . 4.7 m120 -33.84 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -42.81 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -41.63 97.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.751 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.6 tm? -56.29 -65.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 14' ' ' SER . 3.9 pp0? -57.82 -28.3 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.27 -80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.482 ' CE1' HG11 ' A' ' 197' ' ' VAL . 40.2 m-85 -44.16 -47.12 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 1.034 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.9 t-105 -58.28 -55.39 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.0 t -46.7 -34.81 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -85.05 -49.46 8.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.13 -52.64 5.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.39 37.96 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.595 HG13 ' CE2' ' A' ' 43' ' ' TYR . 1.1 p -51.94 150.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.817 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 7.8 p -34.83 142.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -2.95 18.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 1.002 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -43.63 156.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.923 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 4.2 mmt85 -80.89 119.15 23.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.755 HG21 ' HG ' ' A' ' 38' ' ' LEU . 41.5 t -102.03 94.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.825 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.9 tm? -79.35 139.62 37.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.805 HG12 ' HB3' ' A' ' 104' ' ' TYR . 33.7 m -148.14 101.76 3.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.986 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 137.92 22.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.34 54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -80.4 -35.29 35.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 69.39 57.97 6.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 35.21 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 m -118.32 169.06 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 3.0 mt-30 -55.59 -30.2 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.36 -55.7 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.607 ' SD ' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -62.27 -48.73 78.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.7 m -54.12 -38.58 65.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 78.9 t90 -66.98 -43.51 82.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.755 ' HG ' HG21 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -57.69 -45.8 85.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -61.98 -39.27 91.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.09 74.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 18.8 mm-40 -81.02 -37.8 28.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.86 66.21 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.5 m-85 -132.26 170.97 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.48 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -83.63 78.52 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.951 HG12 HD11 ' A' ' 82' ' ' ILE . 85.0 t -67.98 113.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.781 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.3 p -137.47 133.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.724 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -173.32 -172.75 39.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.965 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -143.68 167.26 22.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CD ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -126.13 125.82 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.864 HD23 HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -88.41 66.12 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.665 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 11.0 m -152.02 134.4 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -89.08 -62.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.95 -27.24 12.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -65.91 -48.67 70.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -60.17 -40.9 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.64 -43.97 95.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.566 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -61.09 -35.86 78.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 110.342 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.566 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.1 -39.82 75.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 3.1 m-30 -71.38 -26.44 62.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -36.13 24.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.12 -42.17 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -84.33 -35.85 22.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.0 38.62 18.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 18.1 mt-10 74.7 153.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 161.79 -49.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.616 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.02 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.22 110.0 22.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.603 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.631 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.0 mm -93.91 132.39 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -131.67 156.5 45.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.9 p -103.84 138.06 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -147.01 87.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.32 -118.22 11.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -95.54 23.15 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.684 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 95.9 m-85 -139.82 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.692 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -124.86 175.88 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.773 HG13 ' HB2' ' A' ' 85' ' ' TRP . 70.1 t -142.81 97.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.699 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -105.26 101.1 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -104.18 141.46 36.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -109.38 162.05 21.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.439 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.1 Cg_endo -75.0 -38.46 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.42 -54.37 32.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.951 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -118.46 158.39 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.641 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.58 48.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.698 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.22 121.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.965 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -109.54 107.99 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' A' ' 55' ' ' VAL . 1.7 t -73.92 144.13 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 127.3 -99.98 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.684 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 7.3 p-10 -125.37 163.39 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.756 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -121.71 176.63 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER 79.6 54.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.68 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -139.76 16.52 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.947 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 35.74 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.848 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -61.38 -11.16 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.947 ' HG2' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -81.59 -41.15 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -76.55 -40.15 50.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.979 HD13 ' O ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -79.03 -37.13 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 23' ' ' ARG . . . -72.77 -67.98 1.7 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.609 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 7.2 t-160 67.13 -69.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.75 . . . . 0.0 109.604 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 29.7 p -154.98 148.64 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 1.002 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.8 -106.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 1.034 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -163.99 163.99 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.604 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -143.82 116.23 8.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.805 ' HB3' HG12 ' A' ' 26' ' ' VAL . 22.0 t80 -94.25 131.61 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.604 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 37.5 t0 -120.41 128.47 53.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -101.64 170.14 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.88 ' HB2' HD21 ' A' ' 139' ' ' LEU . . . -41.29 101.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -146.63 -51.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.623 ' SD ' ' CD1' ' A' ' 120' ' ' TYR . 2.0 mmt -64.56 -35.39 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.866 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -64.23 -12.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -77.38 -52.92 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.632 ' H ' HD12 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -78.45 166.7 41.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.0 -66.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -39.99 -63.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 1.1 tpt -51.6 -46.55 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 1.004 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -52.68 -45.42 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.722 ' HG2' HG21 ' A' ' 161' ' ' VAL . 4.7 mt-10 -62.09 -56.3 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HG2' ' HE2' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.68 -23.05 26.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.623 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 1.3 t80 -80.39 -53.37 6.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 1.004 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -59.58 -38.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.567 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -69.21 -52.07 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.598 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 0.5 OUTLIER -54.45 -42.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.695 HD22 ' HG2' ' A' ' 128' ' ' MET . 0.2 OUTLIER -59.91 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.771 ' OE2' ' CG ' ' A' ' 166' ' ' TRP . 3.9 mt-10 -54.02 -19.47 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -73.08 -51.37 18.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -90.85 5.0 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.695 ' HG2' HD22 ' A' ' 124' ' ' LEU . 7.3 mmt -71.62 173.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -45.91 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.706 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.8 103.0 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.61 ' HB2' ' C ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -154.04 168.9 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.547 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -113.7 110.3 19.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -83.65 153.09 29.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 195' ' ' VAL . 0.3 OUTLIER -145.78 99.05 3.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.484 ' CD2' ' CG ' ' A' ' 105' ' ' ASP . 0.2 OUTLIER -87.36 147.5 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.767 HG13 HG22 ' A' ' 195' ' ' VAL . 3.4 mp -132.64 109.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.891 ' C ' HD23 ' A' ' 139' ' ' LEU . 24.4 p -115.67 178.32 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.907 HD12 ' CG ' ' A' ' 142' ' ' ASP . 0.1 OUTLIER -150.63 173.72 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -135.01 -80.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.557 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -22.95 -69.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.907 ' CG ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -32.93 147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 176.51 -33.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ALA . . . . . 0.482 ' C ' HD12 ' A' ' 145' ' ' LEU . . . -129.04 60.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.897 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 170.47 -21.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.694 ' HB2' HD21 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -99.61 126.01 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.654 ' N ' HD12 ' A' ' 146' ' ' LEU . 25.7 mt-10 -45.39 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 88.26 140.66 7.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.44 3.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.539 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.01 135.94 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.413 1.744 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.509 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.8 t80 -105.61 88.33 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.9 OUTLIER -30.2 117.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.866 ' CG2' HG22 ' A' ' 110' ' ' ILE . 1.7 t -104.12 117.87 58.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.1 Cg_endo -75.08 122.4 7.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 3.0 mp0 -40.85 -26.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -62.19 -45.13 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.688 ' CZ2' HG11 ' A' ' 161' ' ' VAL . 33.4 t90 -63.82 -51.94 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.777 HD23 HG11 ' A' ' 168' ' ' VAL . 0.3 OUTLIER -54.94 -31.67 60.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.61 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.2 t60 -85.13 -17.89 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.71 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -82.58 -37.34 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.722 HG21 ' HG2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -113.98 -59.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.711 ' HE1' ' CH2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.9 6.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 161' ' ' VAL . 24.6 t -104.97 100.47 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.645 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 163.28 54.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 27.4 m-20 143.91 -18.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CG ' ' OE2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -145.72 127.4 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLU . . . . . 0.768 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.8 mt-10 -89.56 97.99 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 198' ' ' LEU . 47.5 t -76.2 139.01 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.868 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -125.4 142.63 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.573 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -65.7 141.71 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.592 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -171.41 169.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.592 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.34 -162.05 16.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -172.27 -166.27 30.63 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.4 pt20 -118.29 148.56 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' ASP . . . . . 0.45 ' HA ' ' N ' ' A' ' 191' ' ' MET . 3.6 m-20 70.28 7.73 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.828 ' O ' HG23 ' A' ' 176' ' ' THR . 5.5 t -117.08 74.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.861 HD23 ' HG3' ' A' ' 191' ' ' MET . 3.9 pp -91.2 -22.88 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.554 ' N ' HD12 ' A' ' 177' ' ' LEU . 11.0 p-80 -41.47 -26.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.547 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.556 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 17.3 m -59.28 -55.43 34.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 96.0 p -86.61 159.55 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -85.72 -50.08 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.401 ' HD3' HD11 ' A' ' 146' ' ' LEU . 1.0 OUTLIER -37.89 -31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 188' ' ' LEU . . . -60.39 -55.46 29.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.652 ' H ' HD22 ' A' ' 184' ' ' LEU . 1.3 mm? -71.53 -18.45 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.97 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 0.889 ' HB1' ' O ' ' A' ' 145' ' ' LEU . . . -96.71 -40.0 9.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 86.08 76.5 1.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.4 OUTLIER -111.69 1.91 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 189' ' ' GLU . 0.7 OUTLIER 33.3 66.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.682 ' H ' HD21 ' A' ' 177' ' ' LEU . 40.8 mtt180 80.75 123.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.861 ' HG3' HD23 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -160.61 155.17 23.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.475 ' HB2' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -50.75 104.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.64 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.4 OUTLIER -122.78 109.63 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 138' ' ' THR . 1.6 m80 -92.05 157.97 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 0.767 HG22 HG13 ' A' ' 137' ' ' ILE . 20.1 t -147.72 155.07 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.643 ' HA ' ' O ' ' A' ' 169' ' ' THR . 5.5 m-85 -147.17 116.2 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.868 HG12 HG22 ' A' ' 169' ' ' THR . 7.7 p -94.3 107.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.952 ' HB3' HG22 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -99.86 152.69 19.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.2 mt-10 -112.56 100.41 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.231 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.595 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -66.1 93.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 165' ' ' ASN . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.42 84.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.579 HG11 ' HD1' ' A' ' 37' ' ' TRP . 1.7 p -131.73 78.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.541 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 33.05 95.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -39.38 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.815 ' OD2' HG21 ' A' ' 195' ' ' VAL . 3.1 p30 -65.07 -34.22 77.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.682 HD13 ' C ' ' A' ' 9' ' ' LEU . 2.4 tm? -67.5 -65.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -55.95 -28.08 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 18.5 tp60 -65.17 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' LEU . 21.7 m-85 -46.13 -54.77 8.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.793 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t-105 -47.79 -50.56 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 30.3 t -61.23 -30.84 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -96.9 11.09 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 12' ' ' TYR . 6.2 mt -106.87 -58.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.88 36.15 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' VAL . 57.4 t -46.79 148.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.0 p -36.41 145.51 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.797 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.6 -1.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.983 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -44.16 155.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.974 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 4.7 mmt85 -79.82 114.85 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.772 HG11 ' CD2' ' A' ' 38' ' ' LEU . 32.5 t -107.85 114.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.815 HD22 ' CE ' ' A' ' 128' ' ' MET . 6.9 tp -86.35 152.99 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 ' HB2' ' A' ' 29' ' ' CYS . 41.2 t -137.69 83.95 23.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.667 ' CD ' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.02 115.28 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD22 ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 37.36 29.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB2' HG13 ' A' ' 26' ' ' VAL . 62.0 m -104.3 -25.71 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -24.42 90.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 29' ' ' CYS . 5.5 ttmt -108.32 -96.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' SER . 26.0 p -173.24 -55.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 12.0 mm-40 -72.45 -35.19 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.4 -58.01 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.497 ' HB2' HG11 ' A' ' 45' ' ' VAL . 11.5 ptm -69.93 -49.78 48.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' SER . 58.0 m -50.14 -31.49 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.579 ' HD1' HG11 ' A' ' 5' ' ' VAL . 9.2 t90 -76.94 -52.51 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.049 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.772 ' CD2' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.4 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -57.65 -45.77 85.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.951 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.11 -23.43 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -92.82 -21.92 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 107.19 50.64 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -118.53 164.32 15.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -91.32 84.58 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.742 HG12 HD11 ' A' ' 82' ' ' ILE . 25.4 t -74.7 109.52 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.966 HG23 ' HB3' ' A' ' 83' ' ' GLU . 6.5 p -138.51 98.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.705 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -146.25 -172.61 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.976 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.66 168.64 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.644 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -124.88 91.45 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -61.31 65.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.3 m -151.93 133.39 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 4.2 mp0 -98.37 -43.08 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.55 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.657 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.1 t -59.61 -55.2 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' N ' HG12 ' A' ' 55' ' ' VAL . 59.4 mm-40 -62.97 -44.78 95.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 5.7 tpt180 -59.75 -30.46 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.4 m-30 -71.87 -49.74 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.0 m-30 -62.14 -30.6 71.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.12 -26.56 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.5 mm-40 -77.73 -33.76 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -96.81 -31.83 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.09 47.26 67.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -122.49 -42.57 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.1 76.25 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.741 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.1 Cg_endo -75.01 -154.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -62.75 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.641 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 77' ' ' TYR . 23.9 mm -87.54 133.21 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.56 HG22 ' CG2' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -135.08 170.5 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 69' ' ' THR . 90.2 p -121.57 120.17 34.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 1.4 mm-40 -120.95 104.99 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' ASP . . . 42.06 58.33 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 12.1 t0 88.84 -47.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.61 174.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -118.45 172.48 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 85' ' ' TRP . 87.8 t -142.31 106.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.741 ' CE2' ' CG ' ' A' ' 66' ' ' PRO . 7.7 t80 -99.96 101.11 12.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -112.3 120.08 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.26 155.88 38.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.17 0.74 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.883 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -106.12 152.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.966 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.94 51.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.883 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -108.45 112.15 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TRP . . . . . 0.976 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.01 98.4 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -72.27 119.68 16.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.365 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 74' ' ' PHE . . . 150.09 -101.55 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.633 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -103.59 163.63 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 1.4 t80 -144.01 88.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 164.46 41.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.55 -33.51 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.794 ' CD2' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -92.51 -161.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.6 m -130.23 94.24 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.999 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -55.94 -12.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -78.92 -43.71 24.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -75.0 -44.18 49.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.794 HD13 ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -74.56 -30.06 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -77.33 -74.51 0.98 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.749 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 62.91 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 9.0 t -152.14 142.85 22.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.983 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 149.38 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.1 166.56 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.692 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -150.94 118.91 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . 0.667 ' O ' ' CD ' ' A' ' 27' ' ' PRO . 6.1 t80 -84.87 169.19 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.545 ' HB3' HD23 ' A' ' 136' ' ' LEU . 9.8 t0 -161.43 137.68 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -108.77 170.59 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.487 ' C ' HD12 ' A' ' 110' ' ' ILE . . . -59.78 95.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.67 -46.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.467 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.56 -22.28 66.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -71.64 -11.56 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 -55.09 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.1 OUTLIER -66.44 166.6 16.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.02 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -63.07 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.9 t0 -39.29 -55.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 34.4 tpp -59.68 -44.39 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.827 ' O ' HG13 ' A' ' 121' ' ' VAL . 44.2 mtp180 -54.01 -43.89 70.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 2.6 mt-10 -65.0 -43.25 93.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.563 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 3.0 mmt180 -67.21 -26.13 66.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -75.62 -59.76 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.9 m -55.76 -45.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.6 pt20 -62.5 -47.13 85.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 5.8 m-70 -58.54 -38.09 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.724 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.21 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 2.1 pp20? -50.52 -22.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.19 -57.89 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -81.46 3.28 25.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.815 ' CE ' HD22 ' A' ' 25' ' ' LEU . 4.4 mmt -72.54 174.23 4.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' PRO . . . . . 0.749 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 201' ' ' VAL . 6.2 tt0 -106.09 -41.57 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -140.15 98.59 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' CYS . . . . . 0.581 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -151.51 157.58 42.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.618 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -100.92 107.84 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.692 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -85.99 157.04 30.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.595 HD22 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -150.05 104.04 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.057 HD22 ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -101.49 135.9 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 1.057 ' N ' HD22 ' A' ' 136' ' ' LEU . 3.3 mm -114.35 134.31 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.956 ' O ' HD13 ' A' ' 139' ' ' LEU . 13.6 p -137.21 165.99 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.956 HD13 ' O ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -130.44 168.11 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 141' ' ' TYR . 15.3 tt0 -131.88 -91.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -25.45 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -30.63 145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 178.0 -31.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -117.97 52.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 142' ' ' ASP . 0.1 OUTLIER -87.47 126.46 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 146' ' ' LEU . 13.0 mt-10 -43.95 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.408 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 84.04 126.65 1.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' PRO . . . . . 0.451 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 151.94 40.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 151' ' ' PHE . 24.9 t80 -99.25 19.2 15.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 21.6 p 40.01 75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.642 ' CG1' HG21 ' A' ' 138' ' ' THR . 11.1 p -63.44 117.47 34.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' PRO . . . . . 0.696 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.97 124.71 8.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -44.77 -38.43 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 156' ' ' THR . . . . . 0.696 HG22 ' HB2' ' A' ' 154' ' ' PRO . 11.6 t -53.66 -37.06 62.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TRP . . . . . 0.649 ' CE2' HG11 ' A' ' 161' ' ' VAL . 71.1 t90 -62.98 -59.88 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LEU . . . . . 0.818 HD22 ' HE2' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -52.03 -25.98 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.718 ' O ' ' CB ' ' A' ' 163' ' ' SER . 8.3 t60 -84.23 -23.61 30.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ARG . . . . . 0.603 ' CG ' HG12 ' A' ' 161' ' ' VAL . 1.4 ptp180 -84.32 -32.86 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' VAL . . . . . 0.695 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.04 -64.59 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 162' ' ' MET . . . . . 0.735 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -55.84 6.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.718 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 40.3 t -99.81 100.14 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.57 ' O ' ' ND2' ' A' ' 165' ' ' ASN . . . 151.68 53.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 164' ' ' GLY . 4.3 m-80 153.34 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' TRP . . . . . 0.735 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.88 125.69 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.3 100.71 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.895 ' HB ' ' CE1' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -72.11 145.26 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.794 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -143.83 139.6 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.475 ' C ' HG12 ' A' ' 171' ' ' VAL . 13.2 ptmt -67.42 142.04 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' VAL . . . . . 0.65 HG22 ' CG1' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -169.47 171.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.36 -160.22 17.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -165.15 169.05 39.56 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pt20 -104.24 152.86 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 174' ' ' GLN . 0.5 OUTLIER 66.56 6.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 176' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 176' ' ' THR . 14.7 t -116.94 76.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 177' ' ' LEU . . . . . 0.655 HD21 ' H ' ' A' ' 190' ' ' ARG . 0.2 OUTLIER -82.27 -10.2 59.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 178' ' ' HIS . . . . . 0.426 ' N ' HD12 ' A' ' 177' ' ' LEU . 1.4 m80 -58.35 -25.24 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.442 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.1 m -56.51 -19.34 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 3.6 m -132.31 162.04 32.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -81.79 -32.21 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 182' ' ' ARG . 4.2 ptp180 -48.19 -33.12 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -55.33 -48.67 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.558 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -86.08 -14.92 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.83 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' ALA . . . . . 1.018 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -106.91 -40.06 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 90.11 70.5 1.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 1.018 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.1 OUTLIER -114.4 -33.2 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 189' ' ' GLU . . . . . 0.752 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 11.7 pt-20 44.68 62.43 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' ARG . . . . . 0.752 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 126.56 97.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 191' ' ' MET . . . . . 0.753 ' HG3' HD22 ' A' ' 188' ' ' LEU . 15.1 mmt -151.79 155.24 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 192' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.0 OUTLIER -76.21 106.64 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 193' ' ' GLU . . . . . 0.585 ' O ' ' O ' ' A' ' 173' ' ' GLY . 25.7 tt0 -107.85 107.25 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 194' ' ' HIS . . . . . 0.474 ' O ' ' OG1' ' A' ' 138' ' ' THR . 10.7 m-70 -97.76 121.96 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 195' ' ' VAL . . . . . 1.023 HG22 HG23 ' A' ' 137' ' ' ILE . 9.5 t -109.04 153.57 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 196' ' ' TYR . . . . . 0.906 ' CE1' ' HG ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -146.06 114.47 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 197' ' ' VAL . . . . . 0.794 HG12 HG22 ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.25 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 198' ' ' LEU . . . . . 0.906 ' HG ' ' CE1' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -119.44 100.28 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -75.84 98.18 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 200' ' ' ARG . . . . . 0.581 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.04 104.85 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 201' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 165' ' ' ASN . 31.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.2 m80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.534 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 0.0 OUTLIER 60.07 55.09 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -59.16 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.26 84.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.3 p -131.66 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.759 ' ND2' HD12 ' A' ' 137' ' ' ILE . 3.9 m120 34.32 95.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -43.05 -40.79 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.612 ' OD2' HG21 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -63.26 -48.84 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.752 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.6 tm? -51.47 -64.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' SER . 4.4 pp0? -57.73 -26.59 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -73.3 -74.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.635 ' CD2' HG21 ' A' ' 197' ' ' VAL . 17.0 m-85 -43.86 -51.45 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CD1' HD22 ' A' ' 9' ' ' LEU . 13.1 m95 -58.25 -55.82 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.6 t -43.04 -34.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -89.05 -55.93 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -37.97 -63.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 51.9 t30 70.99 47.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 19' ' ' VAL . 69.8 t -48.3 167.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.147 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 10.9 p -58.98 143.41 83.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.566 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.07 96.68 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 0.46 13.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.147 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . . . -52.37 156.92 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.956 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 13.1 mmt85 -80.74 114.0 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.011 HG11 ' HG ' ' A' ' 38' ' ' LEU . 39.4 t -104.2 112.89 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 1.3 tp -90.59 150.84 21.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.987 HG22 ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -132.76 81.07 59.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 1.059 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.97 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.059 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 30.83 38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.987 ' SG ' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -115.64 -21.84 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -28.73 106.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -118.25 -79.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 164.53 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -70.99 -45.86 63.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' OD1' ' CG ' ' A' ' 104' ' ' TYR . 1.1 t70 -54.43 -58.64 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 36' ' ' SER . 2.4 ppp? -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 32' ' ' SER . 30.1 m -54.73 -28.15 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.534 ' CD1' ' HG2' ' A' ' 2' ' ' GLN . 49.6 t90 -75.72 -57.0 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.011 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -47.63 -54.21 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -57.61 -50.63 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.35 -21.79 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -91.47 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 65.03 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE2' ' HZ3' ' A' ' 13' ' ' TRP . 11.1 m-85 -133.93 163.57 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.92 85.25 6.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.075 HG12 HD11 ' A' ' 82' ' ' ILE . 88.4 t -80.97 103.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 97' ' ' ILE . 1.2 p -134.87 112.6 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -155.62 -172.81 23.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.995 ' HB3' ' HB2' ' A' ' 89' ' ' PHE . . . -128.99 159.21 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.846 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.84 95.97 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.634 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.04 64.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.793 ' O ' HG13 ' A' ' 55' ' ' VAL . 47.0 t -152.85 107.16 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -70.42 -59.67 2.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.93 -33.32 17.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.668 ' HB2' ' OG ' ' A' ' 51' ' ' SER . . . -62.52 -58.35 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.793 HG13 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -47.59 -42.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 13.5 mt-10 -60.89 -44.01 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -60.96 -33.29 72.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 m-30 -75.19 -34.22 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 5.0 m-30 -75.7 -25.5 56.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -34.55 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.31 -39.93 59.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -90.5 -34.48 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.7 38.63 23.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.964 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.9 mt-10 75.64 151.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 161.89 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.96 -175.69 2.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.27 101.1 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.579 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 18.9 mm -95.37 126.0 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.496 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.31 150.13 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.5 p -106.72 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.54 85.32 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.38 -111.81 4.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.43 -7.59 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 5.5 m-85 -108.55 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.677 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 4.5 mttt -125.33 170.94 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 85' ' ' TRP . 91.4 t -143.47 96.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -105.75 100.97 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -100.08 150.46 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -117.01 159.48 40.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.05 12.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.7 -54.24 5.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.075 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -121.04 165.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -100.55 49.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.846 HD12 ' OE1' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -105.98 117.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.948 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.63 104.53 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -68.25 130.93 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.677 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 141.55 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.607 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -118.83 163.95 16.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.995 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -128.93 105.91 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER 176.2 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 179.16 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.36 -1.17 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.975 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 44.62 82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 1.05 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -57.46 -12.64 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.975 ' HG2' HG22 ' A' ' 93' ' ' THR . 20.7 ptt180 -80.02 -47.91 14.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 52.2 m-20 -63.82 -49.03 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -71.77 -43.17 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -55.34 -77.24 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.708 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.53 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.763 . . . . 0.0 109.564 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.78 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.3 p -146.64 136.76 23.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.956 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 148.42 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.983 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -176.5 179.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.789 ' CE1' ' HA3' ' A' ' 134' ' ' GLY . 3.1 p90 -162.42 132.7 4.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.69 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 23.7 t80 -92.08 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t0 -101.26 129.23 47.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.486 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 15.8 ttm180 -103.26 148.54 25.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -41.62 104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -130.68 -48.29 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.879 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -65.51 -25.55 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.804 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -69.26 -18.12 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.19 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.525 HD21 ' O ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -108.35 174.31 2.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.0 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -71.95 -64.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 m-20 -39.55 -60.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 21.3 tpp -55.93 -37.93 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.833 ' O ' HG13 ' A' ' 121' ' ' VAL . 5.1 mtp180 -59.33 -47.3 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.646 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.1 mt-10 -63.06 -39.96 96.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 1.8 mmt180 -70.47 -25.87 63.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.793 ' OH ' HD21 ' A' ' 28' ' ' LEU . 8.7 t80 -75.98 -56.34 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.833 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -57.49 -44.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 9.0 pt20 -63.99 -45.77 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 0.9 OUTLIER -60.0 -37.67 80.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.743 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.18 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.524 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -51.68 -22.13 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.66 -51.18 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -86.54 -0.92 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.743 ' CG ' HD13 ' A' ' 124' ' ' LEU . 4.6 mmt -65.66 173.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.708 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.0 Cg_endo -75.05 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 201' ' ' VAL . 42.5 mm-40 -109.23 -39.12 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.689 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -144.38 91.7 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -148.53 154.8 40.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.983 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -99.47 109.94 22.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.789 ' HA3' ' CE1' ' A' ' 103' ' ' PHE . . . -98.17 141.94 15.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.484 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -129.51 113.98 15.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.879 HD11 ' HE1' ' A' ' 109' ' ' MET . 0.6 OUTLIER -91.61 139.82 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.781 ' CD1' HG22 ' A' ' 195' ' ' VAL . 45.4 mm -122.78 101.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 24.8 p -105.37 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.53 ' CD1' ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -146.7 169.06 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 tm-20 -127.64 -78.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 3.2 m-85 -27.92 -85.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.712 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -27.02 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 1.2 pp0? 174.56 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -124.99 47.91 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.972 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -179.89 -31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.891 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -87.56 152.99 21.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.696 ' H ' HD23 ' A' ' 146' ' ' LEU . 22.1 mt-10 -63.62 102.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.18 1.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.3 Cg_endo -75.03 114.36 4.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.421 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 138.71 23.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.484 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -87.62 23.03 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.1 p 32.62 47.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 152' ' ' SER . 6.3 p -35.2 121.49 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.528 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.01 132.45 15.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 7.4 tm0? -50.06 -38.43 38.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -56.78 -44.23 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.722 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 27.5 t90 -63.32 -45.81 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.632 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -57.35 -41.16 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.3 t-80 -76.97 -17.32 58.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.753 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.82 -37.38 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.753 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.19 -58.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.65 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.65 6.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.661 ' H ' ' C ' ' A' ' 161' ' ' VAL . 30.1 t -104.34 103.47 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.44 55.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.645 ' O ' HG22 ' A' ' 201' ' ' VAL . 7.1 m-20 151.31 -21.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.65 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.71 133.62 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 107.968 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -81.1 93.96 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 198' ' ' LEU . 5.5 m -84.02 135.31 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.662 ' CG2' HG12 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -134.6 142.87 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.452 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -68.45 137.75 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -165.47 166.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.54 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 90.67 -160.46 27.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 168.9 -160.93 34.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 4.3 pt20 -111.92 -173.92 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 t70 71.09 11.64 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.482 ' OG1' ' CB ' ' A' ' 179' ' ' SER . 1.4 t -115.4 74.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.783 HD13 ' O ' ' A' ' 177' ' ' LEU . 1.4 tm? -86.82 -39.48 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -63.43 -44.22 95.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.482 ' CB ' ' OG1' ' A' ' 176' ' ' THR . 0.9 OUTLIER -54.42 -68.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.965 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 120.12 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 184' ' ' LEU . . . -69.37 -48.8 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -45.77 -26.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.979 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -68.21 -39.67 88.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.45 HD23 HD11 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -85.89 -15.28 42.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -49.82 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.574 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -83.93 -38.32 21.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 100.52 67.24 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.979 HD23 ' HA2' ' A' ' 183' ' ' GLY . 2.4 mm? -89.3 -33.49 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.6 pt-20 51.07 20.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.6 OUTLIER 148.47 100.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.594 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 4.6 ptt? -152.19 150.19 29.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 16.4 t0 -81.96 123.01 28.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' A' ' 173' ' ' GLY . 42.6 tt0 -110.22 114.67 28.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -92.11 151.08 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.781 HG22 ' CD1' ' A' ' 137' ' ' ILE . 41.0 t -140.43 150.26 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 20.8 m-85 -145.04 119.24 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.662 HG12 ' CG2' ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.78 111.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.826 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -112.45 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -87.61 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.537 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -65.78 106.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 165' ' ' ASN . 30.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 4' ' ' GLU . 9.8 mp0 -48.89 -68.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m 64.61 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.44 84.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -131.67 78.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 5' ' ' VAL . 5.1 m120 34.07 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -44.81 -40.35 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -62.54 -45.48 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.706 HD23 ' CE1' ' A' ' 104' ' ' TYR . 2.9 tm? -56.67 -65.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.06 -23.56 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' SER . 13.6 tp60 -73.27 -81.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.489 ' CG ' HG21 ' A' ' 197' ' ' VAL . 45.1 m-85 -44.08 -37.53 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.796 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 2.0 t-105 -70.15 -41.67 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.3 m -57.38 -36.54 71.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -45.63 10.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mt -43.42 -51.24 6.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 49.4 t30 70.6 36.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 19' ' ' VAL . 56.1 t -41.92 130.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.041 HG13 ' HB2' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -34.87 144.46 0.21 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 96.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.18 10.9 10.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.041 ' HB2' HG13 ' A' ' 19' ' ' VAL . . . -61.9 157.79 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.878 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 15.4 mmt85 -82.12 117.36 22.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.892 HG23 ' HA ' ' A' ' 45' ' ' VAL . 19.6 m -105.35 111.14 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.075 HD23 HD11 ' A' ' 97' ' ' ILE . 1.5 tm? -97.14 138.28 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.578 ' N ' HD13 ' A' ' 25' ' ' LEU . 30.8 m -137.41 105.45 8.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.936 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 143.42 29.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 22.48 52.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' PRO . 50.7 t -138.41 33.34 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . -65.06 112.15 4.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER 87.97 110.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.93 161.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 181' ' ' ALA . 5.3 mp0 -58.8 -41.66 87.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -52.51 -57.97 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.841 ' HG2' HG11 ' A' ' 45' ' ' VAL . 2.0 tmm? -53.15 -60.08 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -49.29 -33.45 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.666 ' HB2' HG21 ' A' ' 5' ' ' VAL . 31.8 t90 -72.84 -36.38 67.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 24' ' ' VAL . 86.3 mt -67.12 -66.85 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -37.76 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -24.27 76.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -84.53 -38.72 19.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.12 64.15 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -136.22 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' O ' HG12 ' A' ' 46' ' ' VAL . 20.8 m-70 -93.76 80.13 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.059 HG12 HD11 ' A' ' 82' ' ' ILE . 81.2 t -70.62 110.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.983 HG22 HD12 ' A' ' 97' ' ' ILE . 1.5 p -141.32 104.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.762 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -142.0 -172.55 13.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.09 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -131.71 164.08 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' GLY . 2.6 tm-20 -125.39 128.81 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -96.34 72.5 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 68.4 m -152.27 131.36 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -98.37 -44.46 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.27 90.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.76 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.684 HG13 ' CE2' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -64.22 -56.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' HG12 ' A' ' 55' ' ' VAL . 7.2 mm-40 -60.19 -40.99 91.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -37.37 87.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -63.51 -46.15 87.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CE2' HG13 ' A' ' 55' ' ' VAL . 4.1 m-30 -68.03 -31.17 70.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -36.78 59.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.64 -43.25 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -75.75 -35.38 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.66 38.26 17.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.1 mt-10 69.91 151.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 159.9 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 179.29 6.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.29 107.14 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.472 ' CG2' ' HD3' ' A' ' 75' ' ' LYS . 18.4 mm -97.67 128.12 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.516 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -130.38 158.28 40.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -123.21 109.2 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 1.2 pp0? -103.17 105.48 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.57 -106.14 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.6 33.01 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 19.7 m-85 -144.11 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.526 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -126.16 160.68 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.818 HG23 ' CB ' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.73 107.85 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.667 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -104.02 101.72 11.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.69 149.05 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -120.25 159.19 48.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.68 16.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.96 -52.22 5.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.059 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -124.91 168.23 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.706 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -103.94 53.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.6 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -109.37 118.42 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.09 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.91 100.21 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.509 ' SG ' HG23 ' A' ' 55' ' ' VAL . 3.9 t -70.52 142.38 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.542 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 134.0 -99.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.646 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 12.6 t70 -129.69 163.84 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.607 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 7.6 t80 -119.47 102.93 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 165.09 52.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.33 -41.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.083 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.27 178.13 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.71 ' O ' HG23 ' A' ' 97' ' ' ILE . 51.8 m -122.64 85.51 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.84 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -51.96 -15.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.2 ttt85 -73.49 -48.53 32.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -46.23 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.075 HD11 HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.91 -47.03 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -59.74 -72.42 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.691 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 57.9 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.568 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.772 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 96.6 m -139.99 136.43 33.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.006 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.58 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.796 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -169.57 -176.67 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -162.3 128.43 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 137' ' ' ILE . 7.1 t80 -95.69 121.17 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 1.064 ' HB2' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -101.64 139.3 37.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 3.1 ttm180 -108.8 158.68 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.635 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -52.86 99.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.89 -52.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.467 ' HA ' ' HG ' ' A' ' 112' ' ' LEU . 14.6 ptp -63.79 -32.86 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.574 HG22 ' CG1' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -58.47 -15.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.14 -59.18 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.64 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.96 169.68 1.46 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.62 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.02 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -51.83 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' ALA . 8.1 t0 -38.59 -52.31 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.64 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 30.6 tpp -62.2 -41.37 98.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.921 ' O ' HG13 ' A' ' 121' ' ' VAL . 47.0 mtm180 -56.67 -42.33 78.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.9 mt-10 -66.25 -45.14 81.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -67.49 -22.78 65.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.641 ' OH ' HD11 ' A' ' 28' ' ' LEU . 34.6 t80 -76.48 -50.27 14.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -61.68 -46.04 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.497 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 11.7 pt20 -61.63 -48.91 78.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.495 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 11.5 m170 -57.21 -38.73 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.652 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -66.69 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.5 OUTLIER -52.05 -19.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -74.67 -59.21 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.84 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -85.17 9.51 14.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.671 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.1 mmt -75.69 175.44 4.17 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.691 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -74.97 -167.18 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -46.62 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.647 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.9 101.33 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -153.9 160.78 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.733 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.81 107.88 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -86.54 144.67 19.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.779 ' HG ' HG22 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -141.52 98.72 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.064 HD12 ' HB2' ' A' ' 105' ' ' ASP . 2.1 tp -84.81 140.0 31.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.752 HD11 ' CE1' ' A' ' 104' ' ' TYR . 3.9 mp -118.92 114.79 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.915 ' C ' HD22 ' A' ' 139' ' ' LEU . 36.9 p -117.07 170.86 8.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.915 HD22 ' C ' ' A' ' 138' ' ' THR . 0.5 OUTLIER -132.76 167.95 19.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.3 mt-10 -123.38 -94.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.593 ' O ' ' C ' ' A' ' 142' ' ' ASP . 0.4 OUTLIER -22.25 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.759 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -24.76 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 144' ' ' ALA . 1.6 pt20 178.35 -29.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.71 49.78 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.995 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.42 -30.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 1.007 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.3 OUTLIER -93.03 126.81 38.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 1.007 ' N ' HD12 ' A' ' 146' ' ' LEU . 21.6 mt-10 -42.51 107.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.76 118.3 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -74.95 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.437 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -88.23 25.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.9 p 31.07 44.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.635 ' CG1' HG21 ' A' ' 138' ' ' THR . 9.9 p -36.86 122.43 0.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.506 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.03 164.81 32.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 16.5 tm0? -77.89 -32.69 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 154' ' ' PRO . 6.2 t -63.41 -38.6 91.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.628 ' CE2' HG11 ' A' ' 161' ' ' VAL . 73.6 t90 -63.72 -52.96 58.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.807 HD13 ' CD2' ' A' ' 196' ' ' TYR . 2.4 mt -54.65 -35.43 63.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.657 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.5 t60 -78.09 -21.14 50.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -83.1 -34.32 26.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.676 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.55 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.852 ' SD ' HD13 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -57.7 6.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 22.9 t -104.0 100.75 10.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.591 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 165.96 45.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 201' ' ' VAL . 3.1 m-20 149.17 -15.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 128.17 15.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 42.3 mm-40 -84.13 94.01 8.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.847 HG11 ' HB3' ' A' ' 162' ' ' MET . 2.4 m -70.92 130.86 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.611 HG22 ' HB ' ' A' ' 197' ' ' VAL . 0.4 OUTLIER -120.96 149.38 42.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.405 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.927 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -165.0 171.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 110.63 -173.19 15.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.06 156.46 27.23 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 3.3 pm0 -103.83 166.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.74 21.34 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 176' ' ' THR . 15.4 t -107.67 74.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.5 tm? -65.5 -45.11 84.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 178' ' ' HIS . 2.6 p80 -76.91 61.92 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -161.08 -43.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.453 ' CB ' ' HE3' ' A' ' 191' ' ' MET . 43.9 t -90.33 126.16 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . . . -65.14 -45.97 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.414 ' HG2' ' NH2' ' A' ' 106' ' ' ARG . 5.1 mtp180 -53.33 -19.29 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.817 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -73.02 -42.03 45.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -86.01 -14.36 44.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -51.48 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.662 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -84.28 -34.83 23.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.3 64.47 0.98 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.995 HD13 HD21 ' A' ' 145' ' ' LEU . 2.5 mm? -81.7 -37.46 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 54.17 15.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.57 ' H ' HD23 ' A' ' 177' ' ' LEU . 1.7 mtt180 158.39 102.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.453 ' HE3' ' CB ' ' A' ' 180' ' ' SER . 2.0 ptt? -163.34 155.02 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.447 ' OD2' ' CD ' ' A' ' 140' ' ' GLU . 12.1 t0 -85.88 129.49 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 173' ' ' GLY . 22.4 tt0 -113.01 114.63 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.473 ' CE1' ' OE2' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -96.67 155.19 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 24.3 t -147.49 158.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.807 ' CD2' HD13 ' A' ' 158' ' ' LEU . 23.5 m-85 -145.12 130.07 18.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.927 HG23 HG11 ' A' ' 171' ' ' VAL . 55.9 t -99.37 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.852 HD13 ' SD ' ' A' ' 162' ' ' MET . 0.1 OUTLIER -100.58 106.53 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.9 tt0 -76.17 104.15 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -69.79 101.73 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 165' ' ' ASN . 26.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 3' ' ' SER . 2.9 m170 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 4' ' ' GLU . 6.7 mt-30 66.22 -66.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 1' ' ' HIS . 34.6 t 64.95 -78.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 10.5 pt-20 -140.49 84.63 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 6' ' ' ASN . 2.7 p -131.7 133.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' VAL . 38.2 t30 -33.44 108.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -46.71 -33.48 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' TYR . 2.6 m-20 -67.72 -53.12 30.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.699 HD13 ' C ' ' A' ' 9' ' ' LEU . 2.0 tm? -49.93 -63.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.06 -31.46 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 8.5 tt0 -75.29 -75.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ASP . 35.0 m-85 -43.44 -41.47 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.052 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.8 t-105 -70.29 -42.99 71.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.4 m -54.74 -30.1 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.82 -51.87 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -38.48 -51.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.7 t-20 65.31 53.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG12 ' CB ' ' A' ' 22' ' ' ALA . 73.1 t -59.71 142.83 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.973 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.43 151.25 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 104.03 -3.5 44.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.001 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -37.64 154.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.901 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.7 mmt85 -82.45 120.46 25.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG11 ' HG ' ' A' ' 38' ' ' LEU . 22.2 t -107.16 114.04 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.856 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 1.8 tm? -96.58 141.12 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 29' ' ' CYS . 5.8 t -136.37 100.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.691 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.2 Cg_endo -75.06 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.974 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 23.98 90.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 29.1 t -141.08 -35.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.06 -100.04 2.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 145.86 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -169.93 -178.41 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 41.1 mm-40 -55.73 -23.76 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 35' ' ' MET . 0.9 OUTLIER -60.07 -58.34 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.525 ' HB3' HG11 ' A' ' 45' ' ' VAL . 3.4 mtm -63.8 -45.02 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -26.13 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.415 ' CE3' HD13 ' A' ' 38' ' ' LEU . 37.8 t90 -75.98 -48.32 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -52.11 -56.39 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.03 -47.0 86.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.74 -20.72 3.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -98.78 -23.93 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 101.32 59.17 0.8 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 12.5 m-85 -129.85 166.91 19.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 0.7 OUTLIER -79.03 94.01 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG12 HD11 ' A' ' 82' ' ' ILE . 61.1 t -79.9 97.09 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.96 HG11 HD12 ' A' ' 97' ' ' ILE . 1.4 t -114.98 132.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -160.27 163.94 34.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -129.03 153.03 47.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -117.77 116.64 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.684 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -90.44 69.1 6.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.859 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 60.7 p -151.96 135.93 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -97.75 -46.55 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.95 97.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.859 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -65.17 -33.11 75.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -63.49 -53.21 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 55' ' ' VAL . 2.9 mm-40 -61.0 -42.19 97.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -64.62 -35.33 80.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -65.9 -45.02 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.708 ' CE2' HG21 ' A' ' 68' ' ' ILE . 5.0 m-30 -69.11 -31.68 70.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -37.96 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.08 -43.3 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -75.41 -37.13 60.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.12 29.82 30.04 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.3 mt-10 76.03 151.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.91 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.554 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.98 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 111.16 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.708 HG21 ' CE2' ' A' ' 59' ' ' PHE . 2.6 mm -106.1 133.71 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.755 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -130.65 153.54 48.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -108.41 99.36 8.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 2.3 mm-40 -88.54 85.19 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.51 -98.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.58 30.83 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.363 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 10.7 m-85 -145.36 173.14 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.529 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 9.2 tttt -131.09 158.23 40.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.755 ' CG1' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -142.15 110.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -111.06 101.75 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -102.19 146.81 27.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -115.99 155.82 47.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.51 21.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.58 -52.4 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -123.08 172.06 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.597 ' N ' HD13 ' A' ' 82' ' ' ILE . 3.2 tt0 -104.6 51.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -109.42 128.47 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -113.49 106.78 14.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.548 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.9 t -74.38 145.13 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.568 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 129.32 -98.19 0.43 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -131.46 163.52 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -117.57 91.1 3.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER 179.48 56.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . 179.1 39.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -136.82 -30.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 1.0 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.8 OUTLIER 71.59 78.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.972 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -54.67 -18.06 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.94 -47.66 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 95' ' ' ARG . 12.7 t0 -60.3 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.96 HD12 HG11 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -68.61 -49.63 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -44.89 -74.02 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.763 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 26.1 t-80 52.28 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.753 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 71.2 m -138.49 135.47 35.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.001 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.12 -109.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.052 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -172.4 -172.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 2.5 p90 -166.11 143.35 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.638 ' HB3' HG22 ' A' ' 26' ' ' VAL . 26.2 t80 -106.73 119.19 38.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' CB ' ' HG ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -105.97 140.33 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 182' ' ' ARG . 8.3 tmm_? -110.07 170.46 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.662 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -60.95 101.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.09 -48.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.788 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -66.39 -22.5 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.662 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -70.78 -18.07 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.02 46.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.855 HD23 ' HG2' ' A' ' 116' ' ' MET . 4.1 mp -110.85 165.99 11.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 0.9 OUTLIER -39.93 -60.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.855 ' HG2' HD23 ' A' ' 112' ' ' LEU . 8.8 tpp -57.89 -44.57 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.711 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 8.9 mtp180 -52.29 -41.55 63.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.56 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.3 mt-10 -71.46 -37.05 71.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.542 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -69.79 -23.35 63.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.663 ' OH ' HD21 ' A' ' 28' ' ' LEU . 6.0 t80 -81.04 -53.52 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.692 HG21 HG22 ' A' ' 161' ' ' VAL . 7.9 m -62.27 -32.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.537 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.7 pt20 -76.04 -48.36 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 28.7 m170 -58.25 -35.81 72.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.75 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.5 OUTLIER -69.76 -64.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -49.85 -22.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.42 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.972 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -81.53 3.12 26.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.75 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.9 mmt -71.15 174.45 3.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.763 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.02 -156.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.3 OUTLIER -117.96 -36.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.678 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.32 86.81 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 129' ' ' PRO . 10.5 m -151.59 145.13 24.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.778 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -92.12 123.37 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.714 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -101.25 142.95 15.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.483 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -130.1 100.06 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.878 HD12 ' HE1' ' A' ' 162' ' ' MET . 0.6 OUTLIER -86.34 136.35 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 136' ' ' LEU . 8.0 mm -123.9 110.19 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.454 HG23 HD22 ' A' ' 136' ' ' LEU . 11.8 p -110.52 178.47 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 1.018 HD21 ' CG ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -139.44 168.5 19.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -132.04 -85.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.507 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -28.89 -73.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 1.003 ' CG ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -35.04 142.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER 164.25 -25.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -111.93 36.86 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.942 HD21 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.56 -30.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -76.25 119.3 19.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.863 ' N ' HD12 ' A' ' 146' ' ' LEU . 20.4 mm-40 -39.63 107.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.512 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 89.03 128.49 3.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 1.018 ' CG ' HD21 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.99 149.95 37.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -101.9 23.0 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 151' ' ' PHE . 23.4 p 29.98 51.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 110' ' ' ILE . 9.8 p -34.94 123.19 0.57 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -74.97 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.494 ' HG3' ' CD2' ' A' ' 196' ' ' TYR . 1.5 mp0 -36.69 -48.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -47.38 -42.08 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.711 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.5 t90 -59.76 -46.02 90.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -55.49 -45.0 77.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' A' ' 163' ' ' SER . 70.4 t60 -73.35 -17.32 61.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -81.98 -38.33 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.701 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.18 -56.85 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.878 ' HE1' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.9 6.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 9.1 t -108.13 100.02 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 165' ' ' ASN . . . 159.94 47.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.671 ' OD1' ' CD1' ' A' ' 166' ' ' TRP . 7.1 p30 154.75 -18.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.741 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.56 125.0 13.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.0 mt-10 -75.61 91.64 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 198' ' ' LEU . 4.1 m -71.46 128.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.764 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -121.34 120.98 36.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.608 ' C ' HG12 ' A' ' 171' ' ' VAL . 19.9 mttt -57.11 143.83 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.764 HG12 ' O ' ' A' ' 169' ' ' THR . 0.2 OUTLIER -174.58 166.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 96.18 -157.0 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 165.82 -133.09 2.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 21.5 pt20 -131.03 175.68 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 4.5 m-20 78.34 0.59 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.707 ' O ' HG23 ' A' ' 176' ' ' THR . 12.5 t -116.47 74.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 1.011 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.64 -38.54 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.826 ' HA ' HD21 ' A' ' 184' ' ' LEU . 1.6 m-70 -57.55 -23.53 51.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -55.41 -61.4 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.2 p -76.02 149.6 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -85.84 -49.59 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 27.7 mmt-85 -39.8 -29.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.857 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -68.35 -63.91 3.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.826 HD21 ' HA ' ' A' ' 178' ' ' HIS . 2.4 mm? -56.01 -18.51 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -39.58 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.607 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . . . -82.93 -39.75 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 102.83 58.58 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.942 ' CD1' HD21 ' A' ' 145' ' ' LEU . 2.7 mm? -84.93 -52.66 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.462 ' C ' ' HG2' ' A' ' 190' ' ' ARG . 13.3 mm-40 67.98 5.02 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HG2' ' C ' ' A' ' 189' ' ' GLU . 5.9 ptm180 162.46 115.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.461 ' SD ' ' CG ' ' A' ' 142' ' ' ASP . 0.3 OUTLIER -166.47 155.19 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 m-20 -74.61 123.61 25.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 173' ' ' GLY . 18.6 tt0 -118.62 122.19 41.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -92.75 150.92 20.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.618 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 171' ' ' VAL . 44.4 t -138.56 149.28 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.766 ' O ' HD23 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -149.2 114.58 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.614 HG23 HG11 ' A' ' 171' ' ' VAL . 61.8 t -87.53 97.23 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.826 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -98.57 107.55 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.99 101.8 6.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.477 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -65.63 103.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 165' ' ' ASN . 34.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 3' ' ' SER . 37.6 mt-30 -116.88 -151.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 2' ' ' GLN . 56.3 m 69.35 -58.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 3.5 pt-20 -140.13 84.8 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.903 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.8 p -131.52 78.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER 35.81 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 2.2 pptp? -44.22 -38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.475 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 7.1 m-20 -65.78 -54.73 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.7 tm? -46.75 -65.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.4 pt20 -56.3 -35.03 67.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 23.6 tt0 -68.0 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.809 ' CE2' HG21 ' A' ' 171' ' ' VAL . 64.4 m-85 -43.7 -54.65 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.012 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.3 t-105 -49.84 -59.03 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.033 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 10.8 t -43.99 -37.84 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.69 -47.31 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.515 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -41.43 -49.53 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 t30 55.35 60.51 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.0 p -79.95 153.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.999 HG13 ' HB2' ' A' ' 22' ' ' ALA . 3.3 p -33.54 142.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 109.36 -5.52 31.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.046 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -38.58 156.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.89 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 13.6 mmt85 -83.54 121.11 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.775 HG11 ' HG ' ' A' ' 38' ' ' LEU . 79.9 t -106.75 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 ' N ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -95.38 141.44 28.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.866 HG12 ' HB3' ' A' ' 104' ' ' TYR . 34.8 m -140.01 104.48 6.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.781 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 139.84 24.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.34 48.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -109.55 -31.44 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' C ' ' HE1' ' A' ' 35' ' ' MET . . . 65.32 -113.81 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' N ' ' HE1' ' A' ' 35' ' ' MET . 0.1 OUTLIER -129.65 150.81 50.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -174.77 -176.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -59.97 -45.08 93.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 5' ' ' VAL . 2.3 m-20 -50.68 -57.91 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.59 ' HE1' ' C ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -52.09 -52.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -58.21 -24.91 60.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.903 ' HB2' HG21 ' A' ' 5' ' ' VAL . 14.3 t90 -78.85 -32.53 46.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 108.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.775 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -71.03 -56.84 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -42.45 98.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.77 -27.47 61.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' OE1' ' CH2' ' A' ' 37' ' ' TRP . 1.8 mm-40 -83.52 -38.84 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.96 53.95 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.454 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 8.3 m-85 -124.98 166.95 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -84.8 86.53 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.615 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 82' ' ' ILE . 60.8 t -73.0 116.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.861 HG21 HG13 ' A' ' 97' ' ' ILE . 1.6 p -143.69 141.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.797 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -177.78 -174.83 44.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.023 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -131.14 162.39 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -124.09 127.49 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -95.77 70.11 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.683 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.43 132.91 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -98.46 -43.71 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.43 87.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -60.44 -35.11 75.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.88 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.8 t -62.76 -54.04 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -65.87 -33.18 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -69.9 -39.55 76.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.88 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.7 m-30 -72.14 -32.87 67.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -42.42 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.48 -48.07 79.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -76.21 -37.46 57.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 81.86 32.09 30.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.4 mt-10 82.6 151.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.21 -49.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.95 -169.39 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.61 111.05 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 7.3 mm -95.12 131.03 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -127.11 144.29 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -117.18 91.39 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.633 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -93.83 96.87 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.99 -110.77 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -109.5 12.51 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 22.0 m-30 -120.33 148.12 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.726 ' HD2' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -103.87 156.91 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.866 HG13 ' HB2' ' A' ' 85' ' ' TRP . 26.1 t -139.15 98.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.692 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.3 t80 -100.4 101.25 12.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.75 134.18 42.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.42 155.8 39.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.23 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.61 -56.44 0.72 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -107.87 159.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.625 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -102.3 49.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.626 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -100.95 120.13 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.023 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.62 103.29 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 108.044 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.53 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.1 t -73.69 140.79 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.24 -98.93 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.651 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -134.49 163.35 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.735 ' CZ ' HD21 ' A' ' 127' ' ' LEU . 13.2 t80 -113.22 107.73 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 164.29 42.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.633 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . . . -136.35 -42.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.095 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -80.91 -172.44 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.754 ' O ' HG22 ' A' ' 97' ' ' ILE . 2.7 m -142.79 93.7 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.877 ' HB3' ' CD1' ' A' ' 127' ' ' LEU . . . -49.08 -15.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.9 ttt180 -68.24 -55.96 10.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -69.11 -55.68 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.954 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.0 -57.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.694 ' N ' HD13 ' A' ' 97' ' ' ILE . . . -55.84 -73.31 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.631 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 59.25 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.575 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.769 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 18.0 t -143.23 134.81 26.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.046 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.58 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.012 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.4 -179.85 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -157.5 121.07 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.866 ' HB3' HG12 ' A' ' 26' ' ' VAL . 52.9 t80 -90.12 114.78 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.918 ' CB ' HD12 ' A' ' 136' ' ' LEU . 3.5 t0 -101.76 127.39 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -101.24 159.03 15.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.78 ' HB1' HD21 ' A' ' 139' ' ' LEU . . . -49.28 107.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -140.02 -56.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.82 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.81 -17.67 64.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -69.35 -17.54 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.493 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -83.13 -54.79 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.91 169.98 2.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.529 1.804 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 117' ' ' ARG . . . -76.07 -65.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 114' ' ' ALA . 4.0 m-20 -39.43 -62.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.515 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 5.8 tpt -52.67 -46.22 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.671 ' O ' HG13 ' A' ' 121' ' ' VAL . 1.9 mtp180 -51.2 -60.48 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.548 ' HG2' HG21 ' A' ' 161' ' ' VAL . 6.4 mt-10 -49.15 -44.72 42.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 9.7 mmt180 -66.52 -25.17 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 5.2 t80 -79.05 -48.75 13.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.0 OUTLIER -66.07 -39.1 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 1.6 pt20 -67.4 -50.58 58.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.545 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 2.3 m-70 -61.6 -39.42 91.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.733 HD13 ' SD ' ' A' ' 128' ' ' MET . 0.7 OUTLIER -64.41 -64.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.61 ' HB3' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -53.76 -22.14 8.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -69.2 -60.94 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.877 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -73.58 -11.09 60.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.733 ' SD ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.01 176.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.631 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.01 -154.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 201' ' ' VAL . 15.0 mm100 -117.32 -38.39 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.634 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.51 88.92 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 13.7 m -149.69 147.52 28.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.796 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -91.05 118.59 30.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -97.69 149.6 19.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.961 HD13 HG22 ' A' ' 197' ' ' VAL . 9.8 tp -140.23 99.17 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.918 HD12 ' CB ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -86.32 142.83 28.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.708 HD12 HG22 ' A' ' 195' ' ' VAL . 8.5 mm -125.67 105.6 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.99 ' C ' HD13 ' A' ' 139' ' ' LEU . 80.8 p -104.35 176.52 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.99 HD13 ' C ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -150.82 171.42 17.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -131.77 -74.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -25.18 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.736 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -25.38 135.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.488 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 16.0 pt20 174.58 -31.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.39 47.37 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.982 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.63 -30.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.866 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.7 OUTLIER -90.56 148.13 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.707 ' H ' HD23 ' A' ' 146' ' ' LEU . 8.5 pt-20 -66.91 102.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.33 129.13 4.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.32 5.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.474 ' CG ' ' O ' ' A' ' 142' ' ' ASP . 18.3 Cg_endo -75.03 133.89 17.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . 6.1 m-85 -87.95 14.64 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.481 ' O ' ' OG ' ' A' ' 152' ' ' SER . 3.8 p 37.0 60.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.478 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -43.65 118.24 2.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -75.03 121.33 6.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.733 ' CG ' ' CE1' ' A' ' 196' ' ' TYR . 2.3 mp0 -37.2 -39.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 157' ' ' TRP . 0.8 OUTLIER -58.36 -47.52 83.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.638 ' O ' ' HG2' ' A' ' 160' ' ' ARG . 60.3 t90 -53.68 -53.98 44.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.783 HD23 ' CG ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -50.94 -40.8 58.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.644 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -73.23 -18.37 61.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.655 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -83.16 -37.67 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.689 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.06 -60.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.783 ' CG ' HD23 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -57.2 6.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.689 ' H ' ' C ' ' A' ' 161' ' ' VAL . 28.8 t -98.04 101.63 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.596 ' O ' ' ND2' ' A' ' 165' ' ' ASN . . . 142.72 62.57 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' A' ' 164' ' ' GLY . 0.7 OUTLIER 150.43 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.628 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.69 127.79 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.3 95.16 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.655 HG12 HD23 ' A' ' 198' ' ' LEU . 31.7 m -77.56 136.85 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.652 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -130.86 136.75 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -66.52 126.25 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.809 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -156.0 165.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 60.52 -155.93 31.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 134.26 -67.62 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 176' ' ' THR . 8.3 tt0 -35.98 144.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ASP . . . . . 0.568 ' HA ' ' O ' ' A' ' 191' ' ' MET . 4.8 p-10 -67.69 61.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 176' ' ' THR . 3.7 t -80.41 73.37 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -53.53 -20.38 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.426 ' HG ' ' CG ' ' A' ' 6' ' ' ASN . 15.0 t -73.24 -73.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.75 136.85 41.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -72.18 -29.79 64.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -24.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -67.41 -54.35 20.32 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.593 ' N ' HD22 ' A' ' 184' ' ' LEU . 2.0 mm? -72.94 -14.9 61.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.739 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -69.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.719 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.48 68.74 1.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.982 HD13 HD21 ' A' ' 145' ' ' LEU . 3.1 mm? -86.4 -52.18 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 77.99 -4.43 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 1.3 mtt180 158.76 103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.2 OUTLIER -149.04 142.07 24.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.3 OUTLIER -59.26 128.8 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -130.92 121.73 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.93 155.35 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.62 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.708 HG22 HD12 ' A' ' 137' ' ' ILE . 24.1 t -132.48 152.16 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.733 ' CE1' ' CG ' ' A' ' 155' ' ' GLN . 0.0 OUTLIER -145.25 118.93 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.961 HG22 HD13 ' A' ' 135' ' ' LEU . 41.5 t -85.43 106.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.756 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -105.64 102.77 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.92 98.07 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.2 100.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' ASN . 28.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.8 m170 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -109.71 46.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -65.37 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.53 84.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.7 p -131.81 78.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.1 m-80 33.67 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -45.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 12' ' ' TYR . 1.7 m-20 -62.83 -46.46 87.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.761 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.5 tm? -50.96 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 14' ' ' SER . 20.4 pt20 -57.33 -33.82 68.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 1.7 tp60 -67.91 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.687 ' CE2' HG21 ' A' ' 171' ' ' VAL . 47.0 m-85 -44.13 -54.75 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.737 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.68 -55.46 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.1 m -48.23 -36.2 13.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -82.24 -50.85 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -38.6 -43.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.2 t-20 64.17 50.57 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 22' ' ' ALA . 58.0 t -61.05 137.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.972 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -43.31 148.96 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 102.84 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 112.54 -9.88 26.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.972 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.17 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.902 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 14.6 mmt85 -78.47 116.51 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.055 HG11 HD13 ' A' ' 38' ' ' LEU . 54.5 t -99.4 97.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 26' ' ' VAL . 1.5 tm? -81.33 152.86 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.863 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -162.15 124.14 1.67 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 1.011 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 -64.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.011 HD13 ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -144.36 65.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' CD1' ' A' ' 104' ' ' TYR . 34.7 t -112.24 -7.29 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -31.23 94.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mtpm? -119.33 -102.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.5 OUTLIER 178.64 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' HA ' ' HG ' ' A' ' 36' ' ' SER . 15.8 mm-40 -75.45 -51.28 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' HA ' HG23 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -51.45 -58.04 7.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.423 ' CG ' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -60.14 -61.53 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.516 ' HG ' ' HA ' ' A' ' 33' ' ' GLN . 94.7 p -44.45 -31.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.4 ' HD1' HG11 ' A' ' 5' ' ' VAL . 26.9 t90 -71.68 -49.78 36.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.055 HD13 HG11 ' A' ' 24' ' ' VAL . 19.6 mt -62.07 -66.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -45.52 -47.09 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.24 -24.69 45.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LEU . 18.3 mm-40 -91.9 -23.94 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 0.788 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.5 72.29 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -137.59 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.05 82.4 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 82' ' ' ILE . 58.3 t -75.7 106.67 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 83' ' ' GLU . 1.8 p -139.62 110.68 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.863 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -156.12 179.29 32.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.956 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -114.18 169.0 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -126.78 99.97 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.863 HD23 ' HB3' ' A' ' 28' ' ' LEU . 3.0 mm? -68.18 72.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.746 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.2 128.2 10.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.44 -53.49 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.71 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -70.67 -37.52 73.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -58.67 -49.3 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.24 -46.54 86.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.83 -36.28 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.443 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -66.6 -46.88 74.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.626 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 4.4 m-30 -68.11 -24.67 65.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -36.53 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.21 -39.55 68.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -35.11 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.61 32.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.2 mt-10 75.31 148.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER 161.31 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.03 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.8 113.59 25.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 39.3 mm -106.39 120.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.765 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -122.74 150.6 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -109.59 108.9 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 85.56 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.28 -89.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 33.1 t70 -118.19 32.03 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 18.8 m-85 -144.91 173.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -132.43 156.72 46.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.765 HG13 HG22 ' A' ' 69' ' ' THR . 1.5 m -142.47 112.35 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.689 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.51 106.27 15.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.18 132.08 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.45 156.17 35.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.04 2.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.67 -55.08 0.73 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.865 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.9 164.62 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.599 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -106.45 51.73 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.55 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.54 112.58 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.956 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -102.01 105.52 16.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.571 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.4 t -74.43 139.55 44.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.583 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 137.27 -110.45 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.641 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -123.88 164.15 19.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.714 ' CB ' HD21 ' A' ' 50' ' ' LEU . 12.1 t80 -104.0 107.4 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 163.91 37.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.87 7.16 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.74 165.65 25.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -113.04 91.98 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.676 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -46.44 -19.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -84.5 -51.76 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 76.6 m-20 -55.98 -48.73 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.055 HD13 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -81.06 -33.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 1.055 ' N ' HD13 ' A' ' 97' ' ' ILE . . . -56.14 -78.1 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.645 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.32 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.629 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.811 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 10.4 t -147.85 141.86 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 108.347 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.97 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.69 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.737 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -158.39 167.78 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.666 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -149.16 113.18 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.713 ' CZ ' HD13 ' A' ' 137' ' ' ILE . 25.1 t80 -91.25 137.8 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.468 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 11.8 t0 -126.16 144.7 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 5.6 tpp180 -105.05 154.71 19.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.857 ' HB2' ' HA ' ' A' ' 138' ' ' THR . . . -46.1 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.94 -40.96 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.872 ' CE ' HD11 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -65.82 -30.23 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.706 HG21 ' HB ' ' A' ' 138' ' ' THR . 0.1 OUTLIER -70.36 -10.17 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.409 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -102.0 -35.24 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.863 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.2 mp -89.55 162.76 35.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.624 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.03 -155.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 -68.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 10.5 t70 -40.17 -60.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.863 ' HG2' HD23 ' A' ' 112' ' ' LEU . 9.9 tpp -50.85 -46.99 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.624 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 0.0 OUTLIER -52.81 -60.84 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.673 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.6 mt-10 -48.29 -38.83 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -72.67 -25.23 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.624 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 1.2 t80 -78.29 -53.26 7.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.633 HG21 HG22 ' A' ' 161' ' ' VAL . 1.4 m -61.72 -41.6 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 11.3 pt20 -66.09 -48.41 71.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 54.1 m170 -60.78 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.71 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.45 -60.55 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -55.29 -22.35 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.51 -62.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -87.31 25.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.679 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -92.09 177.23 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.679 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 8.5 pt20 -112.56 -46.82 3.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.811 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.36 100.93 4.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -156.49 160.13 39.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.436 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -101.45 108.0 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.527 ' CA ' ' CD2' ' A' ' 103' ' ' PHE . . . -85.21 139.37 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.938 HD13 HG22 ' A' ' 197' ' ' VAL . 12.0 tp -133.65 98.67 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.631 ' HB2' HD21 ' A' ' 198' ' ' LEU . 0.4 OUTLIER -86.1 134.52 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.713 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 3.6 mp -120.23 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.857 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 23.4 p -139.52 -179.92 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.936 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -146.54 174.35 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.497 ' CG ' ' HB2' ' A' ' 192' ' ' ASP . 4.1 pt-20 -130.07 -61.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.637 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.9 OUTLIER -37.17 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.76 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -29.39 146.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.512 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER 162.82 -21.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -133.37 47.62 2.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.955 ' C ' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 176.96 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -87.54 158.89 18.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.581 ' H ' HD23 ' A' ' 146' ' ' LEU . 3.6 mm-40 -73.41 105.83 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.15 124.73 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -75.02 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.504 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 127.61 10.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.55 18.77 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 153' ' ' VAL . 7.9 p 40.88 52.81 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.531 HG11 ' HG3' ' A' ' 109' ' ' MET . 7.9 p -37.44 119.2 0.87 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.511 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.93 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.5 tm0? -36.92 -47.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -45.15 -45.37 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.728 ' CZ2' HG11 ' A' ' 161' ' ' VAL . 63.3 t90 -57.39 -52.19 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.872 HD11 ' CE ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -51.37 -42.24 61.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.584 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.5 t60 -74.1 -17.89 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.848 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -81.83 -39.48 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.848 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -113.43 -56.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.899 ' HB3' HG11 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -57.77 6.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 33.2 t -104.75 96.96 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 169.27 46.35 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.715 ' O ' HG22 ' A' ' 201' ' ' VAL . 12.7 m-20 149.53 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.41 128.93 17.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.518 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 10.9 mt-10 -82.85 91.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.899 HG11 ' HB3' ' A' ' 162' ' ' MET . 2.4 m -70.76 126.19 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -117.25 152.02 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.41 ' HB3' ' NE2' ' A' ' 155' ' ' GLN . 7.8 pttt -83.04 133.93 35.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.918 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -161.07 169.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.13 -164.26 13.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 179.62 -163.41 30.7 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 7.4 pm0 -116.76 -177.69 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 59.32 14.62 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.665 ' O ' HG23 ' A' ' 176' ' ' THR . 8.9 t -116.52 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 1.028 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -89.68 -37.4 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.475 ' HA ' HD11 ' A' ' 184' ' ' LEU . 18.6 m80 -57.79 -44.82 86.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 178' ' ' HIS . 24.8 p -38.31 -68.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t -73.21 119.59 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 182' ' ' ARG . . . -59.84 -51.66 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 181' ' ' ALA . 27.8 mtt180 -38.07 -45.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -54.47 -62.68 5.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' A' ' 178' ' ' HIS . 3.7 mt -51.68 -34.89 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.12 74.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.801 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -73.92 -40.09 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.61 77.77 1.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.918 ' CD2' HD11 ' A' ' 145' ' ' LEU . 1.6 mp -111.74 -21.28 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 177' ' ' LEU . 14.7 pt-20 36.14 30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 161.25 100.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.936 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.1 OUTLIER -156.43 144.62 19.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 2.3 m-20 -81.42 125.39 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' A' ' 176' ' ' THR . 0.5 OUTLIER -115.78 128.76 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.2 OUTLIER -112.45 122.92 49.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.559 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.587 HG22 HG13 ' A' ' 137' ' ' ILE . 31.6 t -114.06 164.78 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.619 ' O ' HD12 ' A' ' 135' ' ' LEU . 20.3 m-85 -147.34 139.15 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.938 HG22 HD13 ' A' ' 135' ' ' LEU . 54.2 t -106.4 98.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.881 HD13 ' SD ' ' A' ' 162' ' ' MET . 0.1 OUTLIER -99.02 106.74 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.5 tt0 -76.16 103.27 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 2.9 ttm-85 -69.37 100.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 165' ' ' ASN . 29.9 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 19.7 t60 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -68.72 -72.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.6 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -138.95 84.79 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.1 p -131.7 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 35.03 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -38.5 -45.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' TYR . 4.1 m-20 -60.15 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.859 HD23 ' CE1' ' A' ' 104' ' ' TYR . 2.7 tm? -45.06 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.32 -35.91 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -70.03 -74.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.669 ' CE2' HG13 ' A' ' 171' ' ' VAL . 42.4 m-85 -44.22 -54.52 5.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.899 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 5.1 t-105 -53.11 -55.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.7 m -46.03 -34.47 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -84.14 -52.7 6.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.569 HD21 ' OG ' ' A' ' 133' ' ' SER . 0.4 OUTLIER -38.46 -63.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 64.93 52.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 19' ' ' VAL . 14.8 p -67.12 155.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.005 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.7 p -32.35 140.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 110.62 3.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.42 -4.84 37.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.007 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -41.4 159.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.915 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.8 mmt85 -78.58 123.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 HD23 ' A' ' 38' ' ' LEU . 55.5 t -105.02 102.67 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 3.5 tm? -90.2 137.01 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.991 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -136.32 94.34 13.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.956 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 29.88 40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -117.94 -15.02 10.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -29.59 97.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -104.47 -98.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -178.44 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -77.51 -48.12 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.951 ' O ' HD22 ' A' ' 38' ' ' LEU . 8.7 p-10 -53.23 -45.96 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.571 ' HB2' HG11 ' A' ' 45' ' ' VAL . 18.9 ptm -76.62 -50.17 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 32' ' ' SER . 25.7 t -50.23 -33.9 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.944 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CE3' HD12 ' A' ' 38' ' ' LEU . 17.2 t90 -77.67 -55.37 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -46.89 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.475 ' H ' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -60.39 -52.56 64.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.24 -17.78 5.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 37' ' ' TRP . 4.5 tp-100 -92.39 -32.68 14.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.11 60.99 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.424 ' HE2' HG13 ' A' ' 18' ' ' VAL . 28.2 m-85 -139.25 165.87 26.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.459 ' O ' HG12 ' A' ' 46' ' ' VAL . 2.3 t-80 -87.13 80.28 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.576 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.063 HG12 HD11 ' A' ' 82' ' ' ILE . 78.9 t -72.35 115.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.676 ' CG1' HD13 ' A' ' 97' ' ' ILE . 1.2 p -148.96 107.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.991 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -147.64 -173.09 18.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.12 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.38 166.26 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -128.18 134.83 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -101.37 74.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.798 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -152.07 133.03 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -98.25 -49.52 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.24 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.798 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -69.08 -34.23 74.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.624 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.34 -51.21 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' N ' HG12 ' A' ' 55' ' ' VAL . 4.4 mm-40 -60.02 -42.91 95.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.72 82.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -66.29 -42.99 87.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 2.6 m-30 -71.76 -26.14 62.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -40.46 34.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.1 -44.14 69.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -77.27 -37.12 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.52 37.12 24.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 16.9 mt-10 73.08 149.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 165.5 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -74.97 -173.51 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 114.09 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.4 mm -100.26 130.22 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.501 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -128.72 153.43 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.7 m -100.71 134.0 44.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -142.26 85.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.42 -114.38 5.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.04 24.99 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 87.7 m-85 -140.52 173.41 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.672 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 tttt -126.44 176.23 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.989 HG13 ' HB2' ' A' ' 85' ' ' TRP . 70.6 t -142.37 102.64 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -108.52 101.57 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -110.23 141.33 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -107.19 167.31 9.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.3 Cg_endo -74.96 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.75 -54.12 40.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.063 HD11 HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -115.24 148.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.907 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.14 56.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.897 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -108.85 112.32 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.12 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -100.01 99.54 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.8 t -72.87 140.45 47.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.672 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.49 -100.69 0.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.621 ' HB3' ' CB ' ' A' ' 74' ' ' PHE . 3.6 p-10 -118.74 164.06 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 5.6 t80 -127.01 96.19 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.67 58.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.9 -42.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.055 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -79.18 -175.84 4.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 97' ' ' ILE . 4.4 m -125.3 86.73 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 1.036 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -53.04 -13.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.98 -56.62 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 15.6 m-20 -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.794 HG23 ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -80.8 -34.44 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.501 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -74.17 -76.66 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER 66.68 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.593 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.778 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -148.15 144.05 27.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.007 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.75 -111.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.899 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -167.04 172.31 10.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.663 ' N ' HH22 ' A' ' 200' ' ' ARG . 0.1 OUTLIER -151.7 152.13 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.859 ' CE1' HD23 ' A' ' 9' ' ' LEU . 3.1 t80 -115.55 117.73 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.834 ' CB ' HD12 ' A' ' 136' ' ' LEU . 2.0 t0 -101.71 141.04 35.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -111.65 172.36 6.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.667 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -61.45 88.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -121.45 -49.79 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.61 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.09 -31.36 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.801 HG22 HG12 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -63.96 -11.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.444 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -88.72 -62.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.69 167.85 5.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -73.41 -66.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.3 m-20 -39.47 -63.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.568 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 31.2 tpp -51.96 -46.79 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.897 ' O ' HG13 ' A' ' 121' ' ' VAL . 8.3 mtm180 -54.83 -37.58 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.3 mt-10 -66.32 -48.69 69.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -67.96 -20.16 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.438 ' CG ' HD11 ' A' ' 112' ' ' LEU . 1.6 t80 -75.63 -52.44 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -62.54 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -60.25 -50.2 74.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 8.5 m80 -55.24 -39.72 70.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.555 ' O ' ' HG2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -62.26 -64.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.655 ' HG3' ' CE2' ' A' ' 166' ' ' TRP . 13.6 mm-40 -53.33 -19.13 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -73.04 -57.66 3.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.036 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -87.71 2.62 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.713 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.5 mmt -65.72 177.09 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER 171.69 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.704 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -125.28 83.03 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 100' ' ' CYS . 4.7 m -148.84 165.35 31.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.684 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -111.19 108.68 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.613 ' N ' HH21 ' A' ' 200' ' ' ARG . . . -88.52 153.01 23.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.533 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.5 OUTLIER -139.1 99.44 3.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.854 HD23 HG23 ' A' ' 138' ' ' THR . 0.3 OUTLIER -82.78 135.28 35.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.754 HG13 HG22 ' A' ' 195' ' ' VAL . 3.5 mp -125.86 94.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.933 ' O ' HD13 ' A' ' 139' ' ' LEU . 32.4 p -103.83 172.16 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.933 HD13 ' O ' ' A' ' 138' ' ' THR . 0.1 OUTLIER -129.5 174.56 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -132.77 -73.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 142' ' ' ASP . 49.3 t80 -35.07 -71.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.738 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.4 138.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 1.6 pp0? 173.63 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -125.06 48.47 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.982 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.905 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.6 OUTLIER -88.9 151.22 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.735 ' H ' HD23 ' A' ' 146' ' ' LEU . 28.3 mm-40 -59.7 101.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.97 137.56 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.02 131.43 14.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.467 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -84.13 16.46 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.5 p 35.68 51.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.801 HG12 HG22 ' A' ' 110' ' ' ILE . 11.2 p -35.75 117.98 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.519 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.99 133.45 16.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.598 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.9 tt0 -46.22 -48.13 17.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.0 OUTLIER -43.93 -44.46 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.709 ' HE3' HD12 ' A' ' 158' ' ' LEU . 76.4 t90 -58.38 -52.38 65.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.709 HD12 ' HE3' ' A' ' 157' ' ' TRP . 1.6 mp -52.75 -35.83 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.65 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.8 OUTLIER -79.57 -18.24 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.767 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.73 -38.54 23.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.767 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -114.16 -57.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.678 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -59.92 6.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 12.3 t -93.58 107.18 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.84 59.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.1 m-20 147.6 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.93 133.37 20.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.983 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 mt-10 -93.9 100.91 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.836 HG12 HD23 ' A' ' 198' ' ' LEU . 26.7 m -74.86 130.08 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -120.33 141.3 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.473 ' C ' HG23 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -59.41 131.95 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.918 HG21 HG23 ' A' ' 197' ' ' VAL . 98.6 t -155.8 170.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.587 ' N ' HG12 ' A' ' 171' ' ' VAL . . . 64.56 -172.26 18.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -174.39 -140.16 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 3.5 pm0 -125.23 175.04 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.44 18.1 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.65 ' O ' HG23 ' A' ' 176' ' ' THR . 9.6 t -116.43 74.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.3 tm? -78.34 -37.05 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -84.48 46.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 176' ' ' THR . 32.1 t -137.44 -44.7 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.604 ' HB3' ' HE3' ' A' ' 191' ' ' MET . 4.8 t -93.83 118.8 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.36 69.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 106' ' ' ARG . 1.3 mmt180 -57.95 -17.58 17.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.915 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -75.46 -42.03 28.56 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.613 ' N ' HD22 ' A' ' 184' ' ' LEU . 1.2 mm? -85.67 -14.71 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -80.33 -48.2 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.637 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -89.94 -29.58 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.47 68.37 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.982 ' CD1' HD11 ' A' ' 145' ' ' LEU . 3.0 mm? -86.15 -36.24 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.8 pt-20 49.54 19.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.553 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 153.27 96.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.604 ' HE3' ' HB3' ' A' ' 180' ' ' SER . 1.4 ptt? -153.3 155.18 36.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -84.52 127.82 34.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 173' ' ' GLY . 28.5 tt0 -118.47 111.46 18.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -98.02 122.74 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.754 HG22 HG13 ' A' ' 137' ' ' ILE . 47.1 t -112.72 162.24 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 26.1 m-85 -155.2 133.43 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.918 HG23 HG21 ' A' ' 171' ' ' VAL . 53.6 t -93.93 105.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.836 HD23 HG12 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -96.53 104.62 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.663 HH22 ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -66.59 97.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 130' ' ' GLN . 35.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.696 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -36.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -58.41 7.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 2.0 pt-20 -140.09 84.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.842 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.2 p -131.72 78.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.499 ' O ' ' O ' ' A' ' 5' ' ' VAL . 7.0 m120 37.33 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -45.75 -37.66 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -66.84 -48.51 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.3 tm? -51.42 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.84 -33.76 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 5.9 tp60 -69.33 -79.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.507 ' CE2' HG21 ' A' ' 171' ' ' VAL . 40.1 m-85 -44.17 -53.47 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.055 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.5 t-105 -51.37 -57.13 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 5.9 m -47.03 -34.67 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -82.17 -44.81 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -46.45 -41.47 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 23.6 t-20 64.92 42.78 4.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 37.8 t -48.41 145.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.136 HG23 ' HB2' ' A' ' 22' ' ' ALA . 2.4 m -53.26 150.95 10.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.62 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.57 -8.57 28.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.136 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -41.0 153.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.924 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 23.3 mmt85 -90.66 132.56 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 38' ' ' LEU . 60.7 t -108.82 109.78 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.932 HD13 ' HD3' ' A' ' 27' ' ' PRO . 1.6 tm? -79.5 128.18 33.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -118.56 90.3 39.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.932 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.1 Cg_endo -75.0 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.813 HD11 ' OH ' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 42.42 26.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' HB3' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -95.04 -30.14 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.655 ' HA2' HD12 ' A' ' 84' ' ' ILE . . . 59.17 -116.88 9.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -103.85 167.63 9.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.407 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER 168.67 164.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.845 ' HG2' ' HB2' ' A' ' 181' ' ' ALA . 5.4 mm100 -49.04 -41.74 36.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.627 ' OD1' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.3 -58.18 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.814 ' CG ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.59 -51.83 19.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -38.36 83.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.842 ' HB2' HG21 ' A' ' 5' ' ' VAL . 69.4 t90 -62.33 -39.87 94.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 24' ' ' VAL . 9.2 mt -67.21 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.3 -32.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.78 -38.2 37.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 9.7 mm-40 -71.35 -32.79 68.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.95 66.45 0.61 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -132.12 172.17 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 46.3 m170 -99.83 91.96 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.614 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.814 HG11 ' CG ' ' A' ' 35' ' ' MET . 48.3 t -85.31 120.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.878 HG13 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -144.83 114.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.67 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -162.49 -173.45 31.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.041 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -138.07 160.85 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' HG3' ' HA ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -123.9 118.04 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.7 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 3.4 mm? -75.1 82.65 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.663 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.3 132.81 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -98.36 -49.44 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.13 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -66.35 -34.0 76.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.652 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -62.66 -53.32 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -59.26 -43.33 92.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.62 -40.09 93.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -61.67 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.652 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 1.9 m-30 -73.94 -24.25 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -76.99 -42.07 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -47.14 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 71.97 32.81 63.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 1.4 mt-10 84.03 142.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 164.23 -50.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.0 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.27 113.06 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.639 HG22 ' HE3' ' A' ' 75' ' ' LYS . 8.4 mm -110.58 127.17 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.694 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -135.41 145.94 47.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 t -109.95 114.35 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -110.66 98.01 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.76 -106.02 1.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.16 21.7 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CE1' ' OD2' ' A' ' 88' ' ' ASP . 20.0 m-85 -130.11 172.66 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.639 ' HE3' HG22 ' A' ' 68' ' ' ILE . 6.1 tttp -134.61 164.63 27.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.16 118.7 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.782 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -118.14 100.53 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.82 133.9 42.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.77 152.9 37.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.08 -53.88 0.65 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -111.23 163.72 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.661 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.16 48.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.655 HD12 ' HA2' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -105.09 118.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.041 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -112.43 119.81 39.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.641 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 8.1 t -83.79 148.79 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 128.7 -99.77 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.617 ' HA ' HD13 ' A' ' 50' ' ' LEU . 12.6 t70 -130.36 163.18 27.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.977 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -140.16 126.78 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 157.0 41.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.31 36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -126.44 -1.34 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 97' ' ' ILE . 7.5 m 51.08 83.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.395 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -60.38 -12.06 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 128' ' ' MET . 36.8 ttt85 -82.96 -43.29 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -26.69 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.878 ' CD1' HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -91.78 -29.05 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -82.88 -70.88 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 3.0 p-80 54.25 -73.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.623 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.784 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.9 p -141.33 137.03 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.025 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.19 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.055 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -171.79 -175.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -158.98 147.05 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.71 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 16.0 t80 -117.68 120.47 38.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 1.7 t0 -106.34 137.68 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -112.45 172.02 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 139' ' ' LEU . . . -50.88 112.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.425 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -156.38 -59.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.7 ' HE2' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -69.92 -9.45 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 150' ' ' PRO . 0.1 OUTLIER -83.97 -12.86 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.472 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -99.87 -9.4 22.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.937 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.3 mp -98.45 165.99 14.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -56.92 -64.31 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.4 m-20 -39.86 -55.82 1.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.937 ' HG2' HD23 ' A' ' 112' ' ' LEU . 11.0 tpp -59.62 -45.22 92.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.949 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -54.71 -38.93 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.586 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.8 mt-10 -67.18 -50.95 59.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.454 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -64.21 -20.67 66.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.813 ' OH ' HD11 ' A' ' 28' ' ' LEU . 3.0 t80 -78.27 -55.8 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.949 HG13 ' O ' ' A' ' 117' ' ' ARG . 2.2 m -57.39 -41.7 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 7.8 pt20 -67.34 -46.67 72.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.489 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 0.8 OUTLIER -58.19 -40.41 81.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.74 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -66.08 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.518 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -53.41 -18.7 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -74.47 -63.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -84.3 14.89 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.74 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -80.89 177.0 3.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.01 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.22 -38.06 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.95 90.04 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -146.27 149.74 34.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.946 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -95.92 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.573 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -91.21 147.76 19.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.539 ' CD2' HG13 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -139.57 104.94 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.775 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -86.46 137.95 32.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 136' ' ' LEU . 6.0 mm -123.68 92.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.733 ' C ' HD12 ' A' ' 139' ' ' LEU . 31.1 p -97.47 168.36 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 138' ' ' THR . 0.4 OUTLIER -149.26 165.11 32.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.37 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.54 ' OE2' ' CD2' ' A' ' 194' ' ' HIS . 5.7 pt-20 -131.11 -59.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.486 ' O ' ' CG ' ' A' ' 143' ' ' GLN . 58.7 t80 -38.0 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.602 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -35.91 153.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.571 ' CB ' ' O ' ' A' ' 142' ' ' ASP . 1.1 pp0? 154.63 -16.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.14 42.62 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.951 HD21 ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 176.27 -33.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.677 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -86.69 151.91 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.503 ' H ' HD23 ' A' ' 146' ' ' LEU . 4.8 pt-20 -66.01 109.24 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.464 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 81.51 120.32 0.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.03 110.94 3.21 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.04 139.2 23.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -97.42 7.16 47.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 151' ' ' PHE . 1.1 p 58.63 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.548 HG21 HH21 ' A' ' 117' ' ' ARG . 3.8 t -124.38 121.22 26.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.541 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.536 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -39.75 -47.24 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -44.79 -41.76 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.431 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.732 ' CH2' ' HD2' ' A' ' 117' ' ' ARG . 54.4 t90 -63.75 -48.17 78.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.616 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.4 OUTLIER -56.39 -35.49 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.638 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -82.22 -17.52 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.721 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.08 -39.03 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.721 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.4 -59.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.64 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.54 5.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.67 ' H ' ' C ' ' A' ' 161' ' ' VAL . 16.0 t -95.37 108.22 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 133.62 64.05 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 0.9 OUTLIER 151.19 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.81 148.14 32.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -96.05 86.29 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 198' ' ' LEU . 17.9 m -70.59 128.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.613 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -124.26 135.11 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 129.68 40.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.937 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -159.13 166.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 80.68 -149.24 29.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.01 -126.46 1.72 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.43 171.78 13.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.36 9.7 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.747 ' O ' HG23 ' A' ' 176' ' ' THR . 13.6 t -116.23 74.12 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.503 ' CG ' ' HA3' ' A' ' 183' ' ' GLY . 8.8 tt -90.55 -48.4 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -28.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 1.8 m -60.93 -51.59 68.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' LEU . 95.2 p -94.84 157.05 16.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -91.09 -34.13 15.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -43.97 -33.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.536 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -64.97 -39.28 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 181' ' ' ALA . 0.9 OUTLIER -78.21 -21.03 50.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -46.75 53.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.662 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -90.62 -40.06 12.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 91.93 79.22 1.4 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.951 ' HG ' HD21 ' A' ' 145' ' ' LEU . 3.6 mp -112.64 -17.16 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 33.65 32.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 152.45 89.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 139' ' ' LEU . 25.0 ptt? -139.46 137.72 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 113.47 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 173' ' ' GLY . 13.3 tt0 -125.45 114.27 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.54 ' CD2' ' OE2' ' A' ' 140' ' ' GLU . 69.9 m-70 -95.37 123.16 38.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.739 HG22 HD12 ' A' ' 137' ' ' ILE . 15.7 t -103.07 152.5 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 23.5 m-85 -144.55 115.58 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.937 HG23 HG11 ' A' ' 171' ' ' VAL . 72.3 t -84.1 101.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.809 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.8 109.17 21.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -79.26 97.75 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.4 103.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -83.11 53.06 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -71.72 -59.3 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -140.5 84.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -132.02 78.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.568 ' ND2' HD12 ' A' ' 137' ' ' ILE . 5.0 m120 34.28 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -43.56 -39.67 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 4.7 m-20 -63.78 -52.85 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.565 HD13 ' C ' ' A' ' 9' ' ' LEU . 2.8 tm? -48.76 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.3 pt20 -55.74 -29.59 59.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 14.7 tp60 -73.06 -79.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CE1' HG11 ' A' ' 197' ' ' VAL . 47.6 m-85 -43.89 -41.73 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.841 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 3.9 t-105 -66.03 -44.89 83.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -56.84 -29.46 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -40.16 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 133' ' ' SER . 5.1 mt -56.14 -40.96 74.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t30 41.21 41.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 19' ' ' VAL . 11.9 p -49.37 155.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.045 HG23 ' HB2' ' A' ' 22' ' ' ALA . 4.6 m -33.12 142.08 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 105.37 -4.51 40.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.045 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -39.64 158.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.948 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 14.1 mmt85 -83.8 120.1 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.902 HG23 ' HA ' ' A' ' 45' ' ' VAL . 2.8 m -105.75 118.79 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 ' C ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -101.59 137.43 39.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.804 ' N ' HD13 ' A' ' 25' ' ' LEU . 35.8 m -138.92 104.83 7.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.711 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 136.63 20.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.56 48.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 9.2 t -98.31 -34.18 10.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.3 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.469 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 54.8 -116.24 6.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 132.2 46.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.76 154.9 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 7.3 mm100 -55.69 -35.86 66.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.42 -58.24 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.615 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -54.27 -57.39 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -33.03 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.662 ' HB2' HG21 ' A' ' 5' ' ' VAL . 15.3 t90 -72.01 -38.31 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.93 -59.38 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.407 ' OG ' HG21 ' A' ' 45' ' ' VAL . 7.0 m -51.67 -43.55 62.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.2 71.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -84.13 -37.58 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.44 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CE1' ' HB3' ' A' ' 41' ' ' GLN . 10.2 m-85 -123.07 175.01 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -89.2 75.39 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 82' ' ' ILE . 85.4 t -65.85 110.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.03 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.4 p -141.88 114.65 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.665 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -147.93 -176.91 21.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.05 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.59 161.91 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.571 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.91 122.73 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HG ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -96.31 67.02 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.916 ' O ' HG13 ' A' ' 55' ' ' VAL . 68.7 m -153.6 98.82 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.705 ' O ' HG22 ' A' ' 55' ' ' VAL . 3.9 tt0 -60.83 -61.19 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.04 -36.11 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -61.05 -55.52 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -50.8 -36.7 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 14.9 mt-10 -65.23 -44.67 87.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.514 ' C ' ' CD ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.23 -31.91 72.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -75.46 -35.79 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 8.2 m-30 -71.86 -30.87 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -34.8 26.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.37 -39.09 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -87.12 -33.95 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.54 40.31 32.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.7 mt-10 74.3 146.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.793 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 163.33 -49.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.04 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 77' ' ' TYR . 4.3 t60 -90.05 111.97 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 77' ' ' TYR . 5.3 mm -108.49 130.87 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.784 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -136.22 143.42 44.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 m -95.5 120.18 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.47 85.08 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.29 -111.27 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 18.47 18.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.1 m-85 -133.65 172.57 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.592 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -132.51 164.33 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' HB2' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -143.09 108.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.736 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -116.49 100.57 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -97.99 154.15 17.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.77 156.01 56.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.12 -52.62 2.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.991 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.02 173.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.753 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.74 43.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -99.86 108.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.05 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 1.4 p-90 -101.03 104.58 15.73 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.597 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -68.32 149.46 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.676 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 132.24 -105.0 0.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.681 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.1 t70 -140.65 163.25 33.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CZ ' HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -114.05 133.43 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.645 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 153.88 40.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 175.36 51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.959 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -139.1 -5.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.73 ' O ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER 38.74 79.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.736 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -58.68 -11.52 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 127' ' ' LEU . 1.8 ptt85 -80.65 -45.31 17.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -67.59 -45.95 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.03 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -74.82 -40.3 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -66.79 -75.99 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 1.6 t-80 64.08 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.7 t -144.8 137.83 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.023 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.77 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.848 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -168.49 -173.8 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.683 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 4.4 p90 -168.85 138.43 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 34' ' ' ASP . 3.2 t80 -103.05 117.17 33.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.823 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -96.98 128.1 43.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -96.97 165.25 12.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.523 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -58.87 101.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -134.27 -53.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.688 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.25 -28.11 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.579 HG22 ' CG1' ' A' ' 153' ' ' VAL . 0.2 OUTLIER -62.17 -15.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.3 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.83 169.79 0.49 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -66.35 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 t0 -39.25 -56.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.586 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 28.2 tpp -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.919 ' O ' HG13 ' A' ' 121' ' ' VAL . 32.5 mtp180 -51.92 -45.65 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.566 ' HG2' HG21 ' A' ' 161' ' ' VAL . 9.7 mt-10 -66.0 -46.43 78.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.441 ' O ' ' ND1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -62.49 -23.3 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.506 ' OH ' HD21 ' A' ' 28' ' ' LEU . 65.0 t80 -78.57 -51.4 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.919 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.1 m -61.31 -41.58 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 9.9 pt20 -66.85 -48.51 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.6 m170 -55.49 -41.76 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.63 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.726 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -67.57 -60.39 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.634 ' HB2' ' CZ2' ' A' ' 166' ' ' TRP . 0.2 OUTLIER -51.63 -20.96 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.05 -58.92 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.799 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -81.15 3.73 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.69 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.9 mmt -71.74 175.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.69 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -74.97 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 mt-30 -105.63 -48.55 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.33 97.06 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 33.4 m -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.848 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -103.16 107.5 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.683 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.77 149.68 20.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -144.12 109.43 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.967 HD23 HG23 ' A' ' 138' ' ' THR . 0.3 OUTLIER -91.85 144.75 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' A' ' 195' ' ' VAL . 13.9 mm -127.42 98.08 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.967 HG23 HD23 ' A' ' 136' ' ' LEU . 78.8 p -106.31 168.55 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.734 HD22 ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -135.29 164.17 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.6 tm-20 -118.08 -82.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.552 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.1 m-85 -27.64 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.734 ' OD2' HD22 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -28.68 139.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 7.0 pt20 168.37 -28.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.4 44.03 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.89 -31.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.882 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.8 OUTLIER -87.44 143.77 27.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.6 ' H ' HD23 ' A' ' 146' ' ' LEU . 15.2 mt-10 -53.54 106.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 77.66 131.58 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.5 Cg_endo -74.98 113.96 3.91 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.5 13.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -79.94 9.92 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 153' ' ' VAL . 6.8 p 47.74 46.24 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.799 ' CG1' HG21 ' A' ' 138' ' ' THR . 8.1 p -36.83 115.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.53 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -75.0 142.94 28.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 8.7 tm0? -55.5 -44.65 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 154' ' ' PRO . 11.3 t -52.63 -39.75 62.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.625 ' CE2' HG11 ' A' ' 161' ' ' VAL . 70.8 t90 -62.06 -52.01 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.1 mt -52.47 -46.42 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.536 ' O ' ' CB ' ' A' ' 163' ' ' SER . 9.1 t-80 -69.93 -20.11 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.614 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.01 -32.88 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.625 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.32 -70.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.608 ' N ' HG22 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -39.8 -29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 1.9 t -50.97 109.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -168.67 -44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.907 ' O ' HG22 ' A' ' 201' ' ' VAL . 21.8 m-80 -149.65 -49.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.634 ' CZ2' ' HB2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -80.05 96.71 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.68 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.4 mm-40 -64.89 96.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.683 HG12 ' HB3' ' A' ' 198' ' ' LEU . 1.4 m -74.52 138.51 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.846 HG22 HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -129.56 142.94 50.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.506 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -67.74 138.03 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.601 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -168.23 170.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.601 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.68 -152.82 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 176' ' ' THR . . . 178.52 172.59 43.05 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pm0 -97.84 171.23 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 54.9 21.41 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 176' ' ' THR . 12.6 t -116.55 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.588 ' C ' HD12 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -75.57 -41.08 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -53.57 -30.36 41.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.2 -39.41 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.05 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.9 t -122.26 165.11 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -91.33 -31.89 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -25.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.986 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -64.23 -54.84 27.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.625 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -74.27 -15.15 60.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -37.53 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.684 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -95.09 -38.81 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 99.39 66.75 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 145' ' ' LEU . 2.8 mm? -87.73 -52.65 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.63 -1.46 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.337 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 160.68 116.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.58 ' HE1' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -167.28 153.49 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.503 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.0 m-20 -77.69 135.06 38.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.604 ' HB3' HG23 ' A' ' 176' ' ' THR . 7.0 tt0 -122.43 120.88 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -103.22 122.66 45.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' A' ' 137' ' ' ILE . 11.6 t -111.21 151.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 19.0 m-85 -139.7 114.34 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.846 HG12 HG22 ' A' ' 169' ' ' THR . 7.8 p -90.72 106.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.683 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -103.3 144.33 31.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.3 mt-10 -112.08 97.72 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.3 OUTLIER -63.22 93.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 165' ' ' ASN . 34.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 4' ' ' GLU . 1.8 mt-30 -38.84 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 65.47 -75.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -140.59 85.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.594 HG21 ' CB ' ' A' ' 37' ' ' TRP . 1.4 p -131.58 78.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.512 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER 33.75 92.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.68 -35.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.6 ' OD2' HG21 ' A' ' 195' ' ' VAL . 2.4 m-20 -66.38 -52.82 42.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.881 HD23 ' CE1' ' A' ' 104' ' ' TYR . 3.3 tm? -52.64 -65.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.8 pp0? -53.94 -31.28 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.55 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.3 tt0 -69.42 -78.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' LEU . 25.1 m-85 -44.08 -54.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.035 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t-105 -51.82 -54.33 30.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 7.5 t -48.64 -34.11 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 16' ' ' LEU . 56.5 m -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' TYR . 10.8 mt -35.28 -43.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' CG ' ' O ' ' A' ' 17' ' ' ASN . 37.9 t30 60.39 40.56 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.729 HG12 ' CB ' ' A' ' 22' ' ' ALA . 87.3 t -41.78 143.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.85 152.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.55 2.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 42' ' ' GLY . . . 104.67 -0.6 42.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.026 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -38.69 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.954 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -91.25 128.33 37.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.994 HG11 ' CD1' ' A' ' 38' ' ' LEU . 15.9 t -104.37 111.92 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.78 HD13 ' C ' ' A' ' 25' ' ' LEU . 1.3 tm? -87.96 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.721 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -130.35 121.1 19.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.906 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 -43.98 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.906 HD23 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -169.45 24.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.616 ' H ' HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -78.25 -15.79 58.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 66.0 -114.07 6.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -125.12 -98.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.46 -162.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -70.7 -37.82 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.599 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.3 p-10 -53.32 -57.7 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.631 ' HG3' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.49 -58.23 8.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.429 ' HA ' ' CE ' ' A' ' 35' ' ' MET . 21.7 m -44.43 -37.19 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CB ' HG21 ' A' ' 5' ' ' VAL . 63.8 t90 -70.57 -44.52 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.994 ' CD1' HG11 ' A' ' 24' ' ' VAL . 71.8 mt -58.08 -62.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.496 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 64.2 p -50.13 -41.86 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.31 -30.24 75.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -73.46 -38.26 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' A' ' 21' ' ' GLY . . . 114.39 46.2 0.64 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 6.6 m-85 -115.8 172.7 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -94.51 93.22 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.925 HG12 HD11 ' A' ' 82' ' ' ILE . 77.5 t -75.76 112.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 1.013 HG13 ' HB3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -135.29 127.91 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.758 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 173.82 176.58 42.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.871 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -111.56 168.28 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.545 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -125.06 93.56 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.744 ' HG ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.02 75.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.872 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -152.48 130.8 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.84 73.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.872 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -70.19 -41.34 73.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -56.51 -52.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 55' ' ' VAL . 3.4 mm-40 -60.55 -46.27 90.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -57.88 -37.53 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -66.55 -42.63 86.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 3.4 m-30 -68.41 -27.53 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -39.81 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.01 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 4.0 mtt-85 -84.21 -35.03 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 77.28 40.22 24.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.7 mt-10 77.85 150.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.87 -49.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.19 112.08 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.626 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 59' ' ' PHE . 1.9 mm -98.46 138.62 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.65 149.85 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -113.5 96.13 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.517 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 56.2 mm-40 -85.02 85.09 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.58 -91.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 1.7 t70 -117.09 26.39 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.626 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 21.1 m-85 -136.08 169.48 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -121.52 157.61 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.87 HG13 ' HB2' ' A' ' 85' ' ' TRP . 26.0 t -141.59 100.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.6 t80 -103.35 101.64 11.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.58 131.64 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 158.23 34.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.95 -55.75 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.023 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -103.32 142.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 1.013 ' HB3' HG13 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -93.88 49.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.023 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.93 122.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.871 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.25 101.45 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 2.9 t -70.41 127.31 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.465 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 149.35 -106.96 0.34 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.626 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -128.53 163.67 24.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.712 ' HB3' HD21 ' A' ' 50' ' ' LEU . 2.9 t80 -108.42 107.9 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 166.35 40.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.517 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -152.24 23.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.012 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -149.26 159.96 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.767 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -104.97 101.58 11.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 1.042 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -56.16 -18.45 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -85.29 -38.77 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 9.0 t0 -64.42 -41.67 96.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.814 ' C ' HD12 ' A' ' 97' ' ' ILE . 0.2 OUTLIER -84.45 -46.13 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -52.24 -68.82 1.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.754 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.4 OUTLIER 47.88 -89.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.768 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 76.7 m -135.12 132.53 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.026 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.19 -106.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.035 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -172.96 -173.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -157.34 152.22 25.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.881 ' CE1' HD23 ' A' ' 9' ' ' LEU . 2.0 t80 -123.24 122.89 39.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.595 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -112.9 153.75 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.75 172.09 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.745 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -57.87 100.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.58 -43.06 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.988 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.59 -7.29 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.872 HD12 ' N ' ' A' ' 111' ' ' ALA . 1.2 pp -87.75 -11.01 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.872 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -103.25 -47.06 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.851 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.4 mp -75.1 164.12 63.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.86 -49.56 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 9.6 t70 -55.52 -60.97 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.851 ' HG2' HD23 ' A' ' 112' ' ' LEU . 25.4 tpp -51.15 -56.27 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 1.073 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -53.45 -38.18 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 1.2 mt-10 -60.55 -43.32 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 3.7 mmt180 -73.06 -24.18 60.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.411 ' CD1' ' NH2' ' A' ' 117' ' ' ARG . 1.6 t80 -77.87 -44.55 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 1.073 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -66.96 -42.77 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 3.2 pt20 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.457 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 47.5 m170 -63.64 -34.24 77.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.694 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.549 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -53.3 -26.72 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.447 ' N ' ' OE1' ' A' ' 125' ' ' GLU . . . -72.76 -49.25 32.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.042 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -85.31 -3.21 58.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.659 ' CG ' HD13 ' A' ' 124' ' ' LEU . 3.4 mmt -65.16 174.99 1.14 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.754 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.1 Cg_endo -75.02 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 201' ' ' VAL . 9.9 tt0 -110.31 -39.56 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.671 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -141.75 93.57 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -151.63 144.05 24.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.981 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -93.64 107.63 19.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.648 ' O ' HD12 ' A' ' 198' ' ' LEU . . . -84.86 143.01 20.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.591 HD11 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -129.92 100.62 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.988 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.88 130.19 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 136' ' ' LEU . 13.5 mm -115.47 107.18 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . 1.036 ' O ' HD13 ' A' ' 139' ' ' LEU . 1.2 p -120.91 172.23 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 1.036 HD13 ' O ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -139.18 176.26 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 141' ' ' TYR . 3.0 tt0 -131.26 -80.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.577 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.6 m-85 -24.36 -81.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.768 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -25.76 139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 6.8 pt20 175.86 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -126.06 50.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.981 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.19 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.897 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -91.3 150.49 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.65 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.8 OUTLIER -64.78 102.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.7 125.42 2.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 110' ' ' ILE . 18.2 Cg_endo -75.01 135.46 19.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -89.93 18.05 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 153' ' ' VAL . 5.0 p 41.68 50.16 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.816 ' H ' HG22 ' A' ' 110' ' ' ILE . 7.6 p -39.26 114.07 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.603 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.98 127.87 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.609 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -42.97 -31.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 154' ' ' PRO . 6.0 t -57.66 -38.03 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.606 ' CE2' HG11 ' A' ' 161' ' ' VAL . 75.7 t90 -64.67 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 108.021 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.5 mt -51.88 -28.12 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.702 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.6 OUTLIER -84.8 -21.31 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.613 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.4 OUTLIER -84.01 -34.08 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.689 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -113.99 -63.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.93 6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 14.2 t -95.23 97.94 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 147.83 60.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.688 ' O ' HG22 ' A' ' 201' ' ' VAL . 7.0 m-20 151.12 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.02 145.24 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.2 mm-40 -98.97 94.09 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.828 HG12 ' HB3' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -81.39 131.05 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.824 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.77 148.57 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.384 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.443 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.2 OUTLIER -66.01 133.47 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.62 HG22 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -164.12 167.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.62 -139.2 14.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 171.35 157.85 14.13 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -105.78 168.88 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.16 21.94 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.709 ' O ' HG23 ' A' ' 176' ' ' THR . 12.3 t -109.31 74.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 190' ' ' ARG . 2.5 tm? -60.74 -47.86 84.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.89 62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.59 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 36.8 t -159.24 -43.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 30.2 t -91.39 135.66 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.06 29.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -19.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.943 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.76 -46.73 72.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.634 ' N ' HD22 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -85.82 -15.55 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -52.51 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.659 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -84.68 -29.63 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.82 67.47 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.981 HD13 HD21 ' A' ' 145' ' ' LEU . 3.1 mm? -85.15 -43.5 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 190' ' ' ARG . 3.7 mm-40 59.93 12.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.597 ' H ' HD23 ' A' ' 177' ' ' LEU . 6.2 ptm180 159.31 104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.532 ' HA ' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -162.42 149.11 13.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 19.6 t0 -82.97 134.09 35.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 30.5 tt0 -116.06 121.55 42.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 138' ' ' THR . 31.4 m-70 -106.11 123.14 47.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.62 ' CG1' HG22 ' A' ' 171' ' ' VAL . 21.6 t -117.33 149.55 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.828 ' HB3' HG12 ' A' ' 168' ' ' VAL . 18.0 m-85 -140.37 117.12 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.824 HG12 HG22 ' A' ' 169' ' ' THR . 0.8 OUTLIER -83.76 103.53 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.881 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.97 103.92 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.02 99.74 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -66.8 103.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 165' ' ' ASN . 16.9 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 3.7 mt-30 -82.77 50.42 1.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -68.38 -56.65 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.2 pt-20 -140.67 84.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.964 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.8 p -131.9 78.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.51 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 37.71 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.578 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -49.79 -36.86 27.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.725 ' OD2' HG21 ' A' ' 195' ' ' VAL . 26.8 m-20 -71.64 -26.58 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.86 HD13 ' C ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -71.15 -66.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' SER . 14.7 pt20 -60.1 -29.55 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.9 tp60 -66.13 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.713 ' CD1' HG21 ' A' ' 197' ' ' VAL . 13.7 m-85 -44.66 -54.15 6.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.999 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.5 t-105 -48.52 -55.4 11.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 107.946 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 9.0 t -46.55 -45.43 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 4.6 t -76.05 -49.39 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB3' HG23 ' A' ' 18' ' ' VAL . 1.1 mt -39.46 -56.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 18.2 t-20 67.46 37.22 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 16' ' ' LEU . 95.8 t -51.13 143.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.044 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 4.7 p -35.46 143.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 90.44 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.26 6.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.044 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . . . -46.88 157.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.902 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -81.91 114.6 20.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG13 ' HH2' ' A' ' 13' ' ' TRP . 20.3 t -104.46 101.77 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.978 ' HB2' HD11 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -94.09 153.96 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.746 HG23 ' HA3' ' A' ' 47' ' ' GLY . 19.4 m -156.22 108.4 2.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.933 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 133.99 17.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.933 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.07 49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' PRO . 12.1 t -84.01 -35.25 24.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 34.85 68.22 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -117.26 177.77 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.58 -44.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 40.3 mm-40 -73.62 -54.12 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -58.06 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -57.85 -62.09 2.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.408 ' H ' ' CG ' ' A' ' 35' ' ' MET . 51.2 m -44.4 -30.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.964 ' HB2' HG21 ' A' ' 5' ' ' VAL . 9.0 t90 -73.41 -45.72 52.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -59.06 -66.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -48.88 -48.56 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.39 -22.88 2.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -95.65 -35.65 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.49 68.9 0.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -135.75 170.57 15.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.86 87.01 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.66 HG12 HD11 ' A' ' 82' ' ' ILE . 59.4 t -77.35 96.89 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.739 HG13 ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -115.47 94.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.746 ' HA3' HG23 ' A' ' 26' ' ' VAL . . . -130.95 173.22 20.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.071 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.32 169.25 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.77 129.96 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.917 HD23 HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -96.3 69.78 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.657 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -152.46 135.13 15.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -98.11 -46.52 5.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.65 97.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -61.49 -34.78 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.831 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.5 t -64.26 -52.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.83 -42.68 89.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -61.75 -38.27 87.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -65.41 -40.7 93.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 3.1 m-30 -69.06 -33.1 73.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -43.33 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 7.8 mtt85 -72.55 -35.42 68.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.19 40.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 76.64 148.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.9 -49.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.98 -176.74 3.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -99.18 113.64 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.638 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.534 HG21 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mm -102.08 131.17 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.682 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -127.24 155.86 42.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -115.28 103.36 10.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.493 ' OE1' ' HA ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -91.21 84.86 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.77 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLN . 28.5 t0 -123.97 29.82 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 17.7 m-85 -137.98 172.59 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -126.04 152.62 45.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 85' ' ' TRP . 41.0 t -135.47 102.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.0 t80 -104.94 101.06 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.06 138.19 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.48 157.59 38.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.07 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.01 -57.74 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.8 HD13 ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.6 156.46 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.8 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -100.48 57.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.632 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -107.68 115.8 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.071 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.74 103.45 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.47 ' HB3' HG22 ' A' ' 55' ' ' VAL . 3.4 t -74.66 139.79 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 135.78 -96.36 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.636 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t70 -130.15 163.64 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.745 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -119.62 99.79 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER 172.62 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . 178.24 40.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.071 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -140.04 -3.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.602 ' N ' HD13 ' A' ' 92' ' ' LEU . 1.3 m 43.88 83.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.446 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 1.08 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -58.17 -12.57 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.72 -50.34 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.6 -52.69 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.978 HD11 ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.96 -45.61 83.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.577 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -50.38 -77.71 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.663 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 55.67 -87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.782 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 38.6 t -144.61 141.41 29.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.999 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.58 -107.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.999 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.21 165.12 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.744 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -149.12 109.32 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 1.084 ' CE2' HD12 ' A' ' 135' ' ' LEU . 2.9 m-85 -100.29 163.06 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.677 ' HB2' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -156.51 164.03 38.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.431 ' CZ ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.32 172.25 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.794 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -41.25 109.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.587 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -142.86 -59.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.444 ' HB2' ' HG2' ' A' ' 117' ' ' ARG . 8.1 ptp -65.11 -25.08 67.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.945 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.2 OUTLIER -60.83 -19.85 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.24 -63.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -56.08 164.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.06 -179.75 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -60.23 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 t0 -39.25 -54.37 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.606 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 39.7 tpp -60.86 -48.29 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 1.015 ' O ' HG13 ' A' ' 121' ' ' VAL . 37.8 mtp180 -49.02 -48.71 43.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 121' ' ' VAL . 12.0 mt-10 -63.94 -40.17 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 12.8 mmt85 -64.92 -28.8 69.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -78.28 -40.16 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 1.015 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -67.33 -41.63 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.529 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 20.4 pt20 -67.06 -49.46 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 4.0 m-70 -58.18 -43.86 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.703 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -63.51 -54.59 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.647 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -56.65 -23.67 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.451 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . -72.89 -53.34 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.08 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.76 -3.6 58.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.677 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.6 mmt -64.01 175.35 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.667 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.9 OUTLIER -114.71 -39.46 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.39 93.16 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.519 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -152.71 148.56 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.689 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.4 p -95.46 112.73 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.709 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -92.25 151.55 20.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 1.084 HD12 ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -143.36 104.71 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' A' ' 105' ' ' ASP . 2.6 tp -87.43 141.42 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 1.077 HD11 HD13 ' A' ' 135' ' ' LEU . 9.1 mm -120.7 106.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 110' ' ' ILE . 64.0 p -118.16 174.97 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.794 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -142.71 172.56 12.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.1 tt0 -126.12 -78.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.569 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.5 m-85 -25.39 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -26.74 143.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 8.5 pt20 169.97 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.38 46.19 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.947 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -31.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.886 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -89.34 155.21 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.721 ' H ' HD23 ' A' ' 146' ' ' LEU . 7.3 mm-40 -53.3 106.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.97 150.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.01 112.72 3.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.512 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.95 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.518 ' O ' ' C ' ' A' ' 152' ' ' SER . 8.1 t80 -75.88 83.1 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.518 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.5 OUTLIER -28.64 104.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.945 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.1 t -78.33 123.56 85.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.603 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.04 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 5.2 mp0 -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -63.73 -38.48 91.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.615 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.1 t90 -61.58 -56.09 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 107.992 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.748 HD23 ' CE ' ' A' ' 162' ' ' MET . 0.5 OUTLIER -48.28 -47.2 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.8 t60 -69.09 -21.58 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -80.79 -24.98 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.631 ' CG2' HG21 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -113.4 -60.55 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.748 ' CE ' HD23 ' A' ' 158' ' ' LEU . 6.9 mtt -70.59 5.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -38.95 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.618 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . -87.83 109.66 3.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.825 ' O ' HG22 ' A' ' 201' ' ' VAL . 12.9 m-20 146.79 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.749 ' CD1' ' N ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -146.61 130.89 17.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.5 mt-10 -73.95 84.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.701 HG12 ' HB3' ' A' ' 198' ' ' LEU . 1.5 m -71.33 131.96 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.648 HG22 ' HB ' ' A' ' 197' ' ' VAL . 0.5 OUTLIER -131.92 148.7 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.431 ' HG3' ' NE2' ' A' ' 155' ' ' GLN . 0.6 OUTLIER -76.23 137.22 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.604 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -163.12 170.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 108.84 -157.29 15.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 176' ' ' THR . . . -170.75 161.16 33.97 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.474 ' CB ' ' CG ' ' A' ' 192' ' ' ASP . 0.4 OUTLIER -101.89 160.98 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.68 14.26 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.719 ' O ' HG23 ' A' ' 176' ' ' THR . 14.0 t -110.49 74.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.654 HD21 ' HA3' ' A' ' 183' ' ' GLY . 1.5 tm? -84.5 -34.03 23.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -74.84 47.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 177' ' ' LEU . 3.1 t -139.93 -42.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 163.5 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -91.89 -58.62 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.62 -30.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.818 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.81 -63.03 4.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.08 -15.33 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.69 -61.56 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.578 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -64.85 -34.82 79.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.46 66.39 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.947 ' CD1' HD11 ' A' ' 145' ' ' LEU . 2.5 mm? -86.81 -52.99 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.59 -6.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 23.0 ptt180 175.2 122.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.72 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -175.87 155.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.474 ' CG ' ' CB ' ' A' ' 174' ' ' GLN . 24.1 t0 -80.28 125.86 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' GLY . 56.7 tt0 -109.16 121.6 45.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.435 ' O ' ' OG1' ' A' ' 138' ' ' THR . 53.8 m-70 -110.43 122.72 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.725 HG21 ' OD2' ' A' ' 8' ' ' ASP . 10.8 t -117.04 158.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 8.9 m-85 -146.84 133.21 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 12' ' ' TYR . 11.0 t -104.09 109.53 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.925 ' N ' HD23 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.89 113.97 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.8 tt0 -78.8 96.66 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.65 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -61.86 104.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.417 ' H1 ' ' N ' ' A' ' 37' ' ' TRP . 22.0 t60 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -178.09 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -65.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.549 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 2.2 pt-20 -140.47 85.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.698 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.3 p -131.53 78.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 9' ' ' LEU . 1.8 m120 39.46 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -39.4 -45.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -62.16 -48.97 77.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.716 HD23 HD23 ' A' ' 135' ' ' LEU . 2.6 tm? -49.78 -65.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.7 pt20 -55.47 -33.81 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.34 -81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CE2' HG21 ' A' ' 171' ' ' VAL . 69.4 m-85 -44.22 -54.25 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.874 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.5 t-105 -48.68 -61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 20.0 m -45.33 -46.83 13.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -26.48 63.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -64.81 -46.42 82.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.74 49.39 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 22' ' ' ALA . 47.5 t -59.39 145.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.028 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.03 149.68 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.81 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 108.18 -1.89 33.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.028 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.57 154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.912 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 33.4 mmt-85 -82.53 122.0 27.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 38' ' ' LEU . 24.3 t -107.55 112.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.845 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.2 tm? -93.14 134.34 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.722 HG22 ' HA3' ' A' ' 47' ' ' GLY . 1.9 m -130.71 98.19 20.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.729 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.03 110.85 3.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.783 HD22 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 38.07 30.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.73 -35.38 79.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.278 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 33.9 61.36 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -108.11 -157.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.36 -45.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 1' ' ' HIS . 8.7 mm100 -72.63 -39.2 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.77 -58.18 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 36' ' ' SER . 4.2 ppp? -60.76 -40.46 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.448 ' N ' ' SD ' ' A' ' 35' ' ' MET . 47.8 t -63.51 -35.78 81.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.698 ' HB2' HG21 ' A' ' 5' ' ' VAL . 70.4 t90 -67.94 -51.88 42.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.824 HD13 HG11 ' A' ' 24' ' ' VAL . 7.3 mt -57.69 -67.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -42.61 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.04 91.94 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 32.2 tp60 -79.39 -20.5 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.761 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.95 79.67 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -145.07 165.77 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.604 ' CG ' ' NH1' ' A' ' 23' ' ' ARG . 4.6 m80 -91.07 81.2 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.022 HG12 HD11 ' A' ' 82' ' ' ILE . 93.3 t -75.68 109.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.901 HG13 HD13 ' A' ' 97' ' ' ILE . 1.4 p -136.33 110.32 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.728 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -149.71 -172.03 18.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.985 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -137.91 168.68 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.593 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.16 125.39 41.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.783 HD23 HD22 ' A' ' 28' ' ' LEU . 1.8 mm? -88.99 65.26 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.849 ' O ' HG13 ' A' ' 55' ' ' VAL . 35.8 t -153.3 107.97 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.41 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.19 -32.49 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.685 ' HB2' ' OG ' ' A' ' 51' ' ' SER . . . -63.58 -49.7 72.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -58.04 -37.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.79 -48.73 73.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 4.6 tpt180 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.409 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 1.8 m-30 -74.85 -36.99 62.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 5.2 m-30 -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 3.8 mm-40 -71.13 -41.6 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -81.22 -36.24 30.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.14 38.63 14.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 13.5 mt-10 69.88 152.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 159.26 -47.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.97 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.43 113.58 26.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.489 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 22.7 mm -103.75 118.6 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.588 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -119.56 148.6 43.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 p -98.58 141.51 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -137.65 85.38 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.87 -99.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.08 35.12 3.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 30.2 m-85 -149.89 173.17 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.573 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.2 OUTLIER -133.67 163.77 28.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 69' ' ' THR . 1.6 m -142.61 112.48 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.694 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.23 104.58 13.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.98 130.4 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.19 156.1 35.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.44 -55.44 0.75 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.022 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -106.95 154.52 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.662 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.07 50.83 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.79 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.77 114.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.985 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.11 105.39 15.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.508 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.85 140.86 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.611 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 131.15 -97.58 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 12.2 t70 -129.64 163.97 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.945 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -128.14 97.64 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 178.04 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -176.33 42.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.974 HD23 HG21 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -137.94 -34.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.959 ' N ' HD13 ' A' ' 92' ' ' LEU . 2.5 m 78.4 79.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.845 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -56.73 -12.64 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 127' ' ' LEU . 10.4 ttt180 -76.42 -50.63 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.34 -48.6 72.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.974 HG21 HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -66.46 -43.28 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.497 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -56.47 -76.05 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.724 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 2.1 m170 56.93 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.4 p -139.77 137.06 34.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.984 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.16 -109.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -171.53 -177.8 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.666 ' CE2' ' HA3' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -160.98 133.1 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.646 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 70.7 t80 -97.84 116.16 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.551 ' HB3' HD23 ' A' ' 136' ' ' LEU . 2.4 t0 -94.74 146.77 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.576 ' HD2' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -106.16 172.67 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.602 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -78.07 87.68 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.447 ' HB2' ' CD ' ' A' ' 106' ' ' ARG . . . -121.09 -38.88 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.18 -27.45 68.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.602 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -73.21 -12.27 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.07 -23.14 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.881 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.8 mp -95.33 166.02 15.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.99 -173.04 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -68.78 -67.66 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -39.61 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.881 ' HG2' HD23 ' A' ' 112' ' ' LEU . 13.8 tpp -52.16 -45.54 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.902 ' O ' HG13 ' A' ' 121' ' ' VAL . 5.6 mtm180 -55.35 -39.28 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.54 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.1 mt-10 -65.43 -48.92 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -67.97 -19.3 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.542 ' OH ' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -77.86 -56.76 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.3 m -60.02 -39.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.529 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.3 pt20 -66.72 -48.13 70.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.0 m170 -54.0 -40.79 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.626 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -65.71 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.68 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 6.1 mm-40 -52.79 -18.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -77.56 -54.99 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -90.61 14.31 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.636 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.3 mmt -79.84 174.71 5.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.724 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.06 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 201' ' ' VAL . 7.6 pt20 -111.37 -37.67 5.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -143.96 94.46 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.559 ' HB2' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -149.09 149.81 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.934 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -92.95 109.75 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.666 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -89.27 149.27 20.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.821 HD13 HG23 ' A' ' 197' ' ' VAL . 6.6 tp -140.2 99.07 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.82 127.16 33.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.752 HD13 HG22 ' A' ' 195' ' ' VAL . 41.4 mm -112.81 106.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.536 ' HB ' HG21 ' A' ' 110' ' ' ILE . 28.1 p -118.08 178.22 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.57 172.21 14.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 141' ' ' TYR . 37.2 tt0 -132.25 -82.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.572 ' C ' ' O ' ' A' ' 140' ' ' GLU . 70.8 t80 -22.32 -73.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.526 ' OD2' HD23 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -31.15 146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 141' ' ' TYR . 3.1 pt20 174.6 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -121.83 52.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -22.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.721 ' HB2' HD21 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -96.27 127.15 42.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.669 ' N ' HD12 ' A' ' 146' ' ' LEU . 55.7 mm-40 -46.38 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.1 129.39 3.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.776 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.489 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 130.39 13.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.38 8.01 12.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.3 p 48.76 55.3 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.829 HG23 HH11 ' A' ' 117' ' ' ARG . 9.8 p -40.63 121.05 1.74 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.514 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.0 121.42 6.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -40.26 -44.28 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -49.96 -43.22 50.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.657 ' CE2' HG11 ' A' ' 161' ' ' VAL . 44.6 t90 -63.15 -51.04 68.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.653 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -54.25 -33.1 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.677 ' O ' ' CB ' ' A' ' 163' ' ' SER . 4.9 t60 -84.62 -17.44 38.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.67 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -82.31 -36.77 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.67 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.1 -60.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.653 ' CB ' ' O ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -56.89 6.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 42.1 t -100.65 107.63 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.564 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.96 59.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 8.6 m-20 151.65 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -145.91 128.85 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 107.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.0 OUTLIER -78.47 94.11 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 198' ' ' LEU . 33.7 m -79.34 131.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.877 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -131.7 137.28 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.43 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.634 ' C ' HG12 ' A' ' 171' ' ' VAL . 22.9 pttt -61.24 141.62 57.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 169' ' ' THR . 0.2 OUTLIER -173.46 168.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 112.92 -165.75 12.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.545 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -149.05 176.59 27.75 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.525 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 26.4 pt20 -114.95 139.54 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ASP . . . . . 0.423 ' HA ' ' N ' ' A' ' 191' ' ' MET . 0.8 OUTLIER 64.8 11.85 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 176' ' ' THR . 7.7 t -116.86 73.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.95 HD21 ' H ' ' A' ' 190' ' ' ARG . 0.2 OUTLIER -92.24 -11.42 35.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.573 ' N ' HD12 ' A' ' 177' ' ' LEU . 70.4 m-70 -46.29 -27.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -71.13 -40.87 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -86.97 157.15 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -92.5 -42.24 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -42.18 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -66.93 -50.48 46.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.546 ' H ' HD22 ' A' ' 184' ' ' LEU . 1.1 mm? -73.9 -14.57 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -41.02 28.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.99 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -87.49 -40.01 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.29 66.28 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.99 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.2 OUTLIER -113.57 -31.52 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 6.9 pm0 38.9 39.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.95 ' H ' HD21 ' A' ' 177' ' ' LEU . 0.7 OUTLIER 153.38 112.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.886 ' HG2' HD23 ' A' ' 177' ' ' LEU . 1.8 ptt? -175.48 145.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.9 m-20 -54.28 108.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 173' ' ' GLY . 27.2 tt0 -102.65 105.08 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 138' ' ' THR . 9.6 m-70 -91.95 149.32 21.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.752 HG22 HD13 ' A' ' 137' ' ' ILE . 46.4 t -147.46 146.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 169' ' ' THR . 8.0 m-85 -141.64 117.25 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.877 HG12 HG22 ' A' ' 169' ' ' THR . 2.4 p -83.76 112.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.842 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.98 104.0 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.84 95.65 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -61.9 99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 165' ' ' ASN . 25.7 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 4' ' ' GLU . 2.6 mp0 -41.28 -65.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.84 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -140.55 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.608 HG11 ' HD1' ' A' ' 37' ' ' TRP . 2.4 p -131.74 143.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.496 ' ND2' ' OD2' ' A' ' 8' ' ' ASP . 1.2 t30 -32.54 116.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -57.83 -39.83 78.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' OD1' HG22 ' A' ' 171' ' ' VAL . 2.9 m-20 -64.31 -46.52 83.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.685 HD13 ' C ' ' A' ' 9' ' ' LEU . 2.2 tm? -53.08 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' SER . 10.2 pt20 -56.43 -28.95 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 3.9 tp-100 -67.76 -81.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.894 ' HE2' HG21 ' A' ' 171' ' ' VAL . 55.4 m-85 -43.97 -54.55 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.075 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 2.3 t-105 -49.45 -55.34 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.9 m -48.41 -36.15 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 6.9 t -88.04 -53.84 4.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.727 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.4 mp -39.2 -42.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 47.18 36.17 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.2 p -47.28 153.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.051 HG23 ' HB2' ' A' ' 22' ' ' ALA . 5.3 m -34.45 144.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 106.64 -3.49 36.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.051 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.63 156.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.903 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 31.4 mmt-85 -81.87 123.85 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.039 HG11 HD13 ' A' ' 38' ' ' LEU . 47.6 t -106.38 114.83 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 1.027 HD23 HD11 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -103.95 139.95 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.818 ' N ' HD13 ' A' ' 25' ' ' LEU . 7.4 m -142.46 106.23 5.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.909 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.93 124.24 8.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 26.3 54.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -110.93 -35.33 5.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.2 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER 58.54 -151.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.263 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.43 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -163.74 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 12.4 mm-40 -73.72 -47.57 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t70 -52.24 -58.59 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.464 ' HG3' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -61.0 -62.48 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.464 ' H ' ' HG3' ' A' ' 35' ' ' MET . 30.4 t -43.68 -32.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.608 ' HD1' HG11 ' A' ' 5' ' ' VAL . 30.7 t90 -69.25 -53.5 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.039 HD13 HG11 ' A' ' 24' ' ' VAL . 4.8 mt -61.04 -66.78 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 -44.76 4.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.67 65.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LEU . 3.8 mm-40 -80.82 -30.81 35.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.64 59.4 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' HE2' HG13 ' A' ' 18' ' ' VAL . 9.0 m-85 -126.21 171.23 11.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -82.65 80.59 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.91 103.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.894 ' CG2' HD12 ' A' ' 97' ' ' ILE . 1.2 p -135.39 143.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.763 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -179.79 -176.8 47.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.83 168.79 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -129.62 129.58 44.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.887 HD23 HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -97.34 68.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.801 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 55.0 p -152.29 133.42 14.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.15 -47.59 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.41 97.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.801 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -63.22 -35.95 82.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.894 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 4.7 t -61.65 -54.41 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -42.55 84.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -40.86 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.894 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.6 m-30 -69.33 -34.97 75.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.78 -42.43 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.51 -46.11 87.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' CZ ' ' OH ' ' A' ' 77' ' ' TYR . 6.8 mtt-85 -75.85 -38.97 57.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.64 34.84 18.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 77.48 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 158.21 -48.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.0 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -107.56 112.03 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.536 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.52 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 7.4 mm -94.69 131.66 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.61 142.89 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -116.16 92.97 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.575 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -96.64 98.74 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.9 -107.4 1.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -111.95 6.43 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.665 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 14.2 m-30 -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.678 ' HD2' HG11 ' A' ' 55' ' ' VAL . 1.5 ttmp? -107.89 158.31 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.865 HG13 ' HB2' ' A' ' 85' ' ' TRP . 31.4 t -139.82 101.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.6 t80 -103.84 101.43 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.69 139.01 38.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.37 157.48 42.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.4 -57.89 0.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.654 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -107.32 157.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -102.04 55.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.654 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -108.05 121.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.036 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -109.21 105.76 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.508 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.8 t -76.85 138.88 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 139.06 -97.45 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.665 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -134.66 163.67 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 2.2 t80 -118.4 106.73 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 161.86 48.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . . . -141.96 -41.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.045 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.64 -175.62 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.7 m -123.85 89.14 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 1.032 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -52.44 -16.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.16 -48.73 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.75 -45.48 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.027 HD11 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -69.24 -48.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -58.29 -75.89 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.661 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.6 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.64 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.758 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 37.3 t -143.83 137.07 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.034 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.28 -112.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.075 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -167.23 -178.27 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.722 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.1 p90 -162.62 142.84 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.557 ' HE1' HD13 ' A' ' 135' ' ' LEU . 10.6 t80 -105.34 114.78 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 1.015 ' HB3' HD12 ' A' ' 136' ' ' LEU . 6.8 m-20 -93.14 130.33 38.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.551 ' HE ' ' HB3' ' A' ' 107' ' ' ALA . 0.5 OUTLIER -100.6 155.52 17.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 110' ' ' ILE . . . -54.87 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' ARG . . . -121.24 -55.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.933 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.42 -16.5 63.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.656 HD12 ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -71.03 -21.89 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.576 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -78.33 -49.02 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.572 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -66.69 169.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.572 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -74.99 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -75.57 -63.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -39.72 -59.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.686 ' O ' ' HG3' ' A' ' 119' ' ' ARG . 16.0 tpp -55.05 -46.94 75.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.997 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -55.04 -37.28 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 0.4 OUTLIER -65.71 -58.48 5.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -60.32 -17.57 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -79.15 -46.8 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.997 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 13.3 pt20 -67.43 -50.23 60.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.535 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 24.6 m170 -58.15 -42.83 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -63.35 -61.24 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.644 ' HG2' ' CD2' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -54.89 -20.52 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -72.57 -56.49 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.032 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -82.84 -3.23 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.674 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.1 mmt -65.91 175.24 1.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.674 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.1 Cg_endo -74.99 -160.13 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 201' ' ' VAL . 29.0 tp60 -110.85 -44.52 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.63 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -137.62 94.19 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 32.3 m -150.99 149.88 30.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.82 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -97.75 111.12 23.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.722 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -92.07 157.13 24.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.557 HD13 ' HE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -140.0 102.67 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.015 HD12 ' HB3' ' A' ' 105' ' ' ASP . 4.3 tp -82.63 135.42 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.862 HD13 ' HB ' ' A' ' 195' ' ' VAL . 2.5 mm -125.05 110.76 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 29.1 p -119.45 168.91 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.983 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -132.47 157.28 45.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -122.15 -34.32 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -69.84 -83.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.921 ' OD2' HD22 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -31.03 144.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.4 pt20 170.73 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.88 53.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 174.56 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.8 OUTLIER -97.17 131.34 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.994 ' N ' HD12 ' A' ' 146' ' ' LEU . 8.3 pt-20 -48.57 113.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.19 109.49 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.531 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -74.96 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.462 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 159.15 41.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 152' ' ' SER . 26.6 m-85 -117.97 22.0 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 152' ' ' SER . 0.6 OUTLIER 36.14 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.762 HG11 HH11 ' A' ' 117' ' ' ARG . 3.4 t -74.3 122.35 87.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.547 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.95 119.56 5.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 196' ' ' TYR . 6.2 tm0? -42.61 -36.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.547 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.1 t -56.33 -38.76 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.755 ' CH2' ' CG ' ' A' ' 117' ' ' ARG . 44.8 t90 -60.16 -52.65 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 162' ' ' MET . 1.4 mt -53.68 -37.13 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 163' ' ' SER . 3.9 t60 -76.66 -20.41 56.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.563 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.651 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.27 -35.99 27.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.747 HG11 ' CZ2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -113.32 -72.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.7 ' SD ' ' CE2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -39.29 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -48.89 115.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 110.3 75.71 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 15.2 m-20 145.71 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CE2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.84 137.59 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -92.54 94.26 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.602 HG12 HD23 ' A' ' 198' ' ' LEU . 29.5 m -76.77 132.53 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -124.24 124.13 41.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.435 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 124.39 14.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.992 HG22 ' H ' ' A' ' 172' ' ' GLY . 13.6 p -164.06 -172.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.992 ' H ' HG22 ' A' ' 171' ' ' VAL . . . 116.86 -156.1 15.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.41 138.65 5.96 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 176' ' ' THR . 15.2 mt-30 -102.35 158.6 16.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 t0 49.26 21.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.786 ' O ' HG23 ' A' ' 176' ' ' THR . 6.3 t -111.48 74.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.7 OUTLIER -73.67 -36.53 65.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 55.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 177' ' ' LEU . 69.1 m -156.3 -43.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.44 ' O ' HD22 ' A' ' 184' ' ' LEU . 9.1 t -84.72 109.3 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -48.78 -59.84 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 5.9 mmp_? -39.39 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.809 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.56 -63.79 3.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.647 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.2 OUTLIER -60.56 -14.6 20.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -45.15 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.646 ' HB2' HD13 ' A' ' 146' ' ' LEU . . . -82.92 -36.07 25.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.82 65.2 0.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.968 HD13 HD21 ' A' ' 145' ' ' LEU . 2.9 mm? -84.19 -52.61 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.44 ' CD ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 76.66 -1.55 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 167.12 116.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.983 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.4 OUTLIER -164.86 150.75 10.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -91.28 126.93 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 138' ' ' THR . 20.5 tt0 -118.17 120.41 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.35 122.7 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.967 ' CG2' HG13 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -119.36 165.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.866 ' HA ' HG12 ' A' ' 171' ' ' VAL . 5.0 m-85 -152.35 132.3 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.605 HG21 ' CG ' ' A' ' 12' ' ' TYR . 2.7 t -85.25 107.87 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.818 ' H ' HD12 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -101.18 105.08 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.57 94.97 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -63.71 100.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.414 ' CG ' ' H ' ' A' ' 2' ' ' GLN . 5.5 p80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.9 mt-30 -133.5 -166.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER 86.46 -57.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.046 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.0 84.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.2 p -131.73 78.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' VAL . 0.8 OUTLIER 37.52 89.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -41.07 -39.48 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 54.7 m-20 -65.48 -56.06 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.821 HD23 HD23 ' A' ' 135' ' ' LEU . 2.3 tm? -45.39 -65.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -54.44 -34.37 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.07 -79.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' LEU . 72.9 m-85 -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.803 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.66 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 15.1 t -42.69 -36.25 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -81.51 -49.61 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.07 -44.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 25.3 t-20 67.81 44.18 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' VAL . 45.9 t -52.79 134.39 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.039 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.91 147.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.14 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.14 -5.79 27.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.039 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -39.46 155.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.897 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 9.0 mmt85 -81.1 124.14 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.11 HG11 HD13 ' A' ' 38' ' ' LEU . 30.6 t -106.04 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.817 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.8 tm? -107.64 138.23 44.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 25' ' ' LEU . 1.9 m -139.86 102.91 6.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.899 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 124.96 8.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.93 55.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.628 ' CB ' HG23 ' A' ' 26' ' ' VAL . 38.7 t -81.87 -35.38 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' HA2' ' CD ' ' A' ' 49' ' ' GLU . . . 76.18 24.32 69.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? 70.18 145.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -165.44 168.3 16.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.05 -32.69 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' CG ' ' CD1' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -60.3 -58.12 9.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.847 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.65 -46.9 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -32.56 74.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.833 ' HB2' HG21 ' A' ' 5' ' ' VAL . 46.3 t90 -65.53 -38.36 89.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.11 HD13 HG11 ' A' ' 24' ' ' VAL . 6.2 mt -65.32 -62.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.3 m -46.71 -38.59 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -29.76 69.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -80.49 -36.35 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.87 68.83 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -133.67 173.54 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -92.36 75.57 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.079 HG12 HD11 ' A' ' 82' ' ' ILE . 85.0 t -68.4 112.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.892 HG21 HD13 ' A' ' 97' ' ' ILE . 1.9 p -142.84 112.89 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.74 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -151.76 -172.01 20.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.072 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -142.65 162.11 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.26 137.66 54.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.717 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -94.81 66.57 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.674 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 38.8 t -152.16 139.77 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -97.93 -64.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.238 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.83 -26.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -68.57 -45.86 70.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.8 HG23 ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.14 -48.02 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 4.3 mt-10 -61.09 -47.28 87.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -61.06 -29.17 69.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.9 m-30 -72.07 -44.67 62.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.8 ' CE2' HG23 ' A' ' 55' ' ' VAL . 1.1 m-30 -65.04 -34.78 79.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -29.96 29.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.2 mm-40 -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -89.25 -32.87 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.78 40.34 96.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -118.03 -42.99 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 65.49 79.7 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.715 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -155.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -65.46 84.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.613 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.9 mm -87.95 127.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.87 151.63 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 m -108.32 107.48 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.55 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.17 -109.21 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.98 28.31 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 46.3 m-85 -142.62 173.44 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -124.73 169.01 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.968 HG13 ' HB2' ' A' ' 85' ' ' TRP . 97.3 t -142.74 97.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.72 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.0 t80 -95.84 100.75 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -110.04 120.8 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.02 155.16 47.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.85 -53.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.079 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -120.41 172.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.694 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -103.36 48.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -107.01 124.16 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.072 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -110.49 105.49 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 1.8 t -74.46 133.91 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.539 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 137.85 -101.18 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.58 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 13.8 p-10 -118.7 163.99 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.717 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -127.04 94.67 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.57 57.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.24 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.984 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -139.17 -34.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.984 ' N ' HD13 ' A' ' 92' ' ' LEU . 1.5 m 73.85 75.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.821 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -55.12 -12.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -75.41 -50.53 15.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -56.48 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.892 HD13 HG21 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -62.5 -36.67 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' ARG . . . -59.84 -78.75 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.622 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.7 t-160 62.72 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.603 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.782 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.9 p -143.89 143.76 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.985 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.02 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -169.47 179.53 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.7 p90 -160.38 139.5 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.58 ' CD1' ' CG ' ' A' ' 34' ' ' ASP . 9.9 t80 -97.9 118.37 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.795 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -97.65 127.05 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.94 8.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.627 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -72.99 87.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -119.72 -36.87 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 1.01 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -64.27 -35.34 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.592 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -69.96 -3.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -100.09 -40.05 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.88 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.5 mp -86.47 164.26 38.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.3 Cg_endo -74.96 -158.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -80.17 -66.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 3.9 t70 -39.8 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.88 ' HG2' HD23 ' A' ' 112' ' ' LEU . 6.7 tpp -51.48 -37.33 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.856 ' CZ ' ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -58.0 -61.34 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.532 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.4 mt-10 -49.72 -39.52 37.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -71.91 -26.42 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.833 ' OH ' HD21 ' A' ' 28' ' ' LEU . 45.4 t80 -77.78 -57.83 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -56.45 -43.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.536 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 8.4 pt20 -65.1 -48.76 72.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 31.6 m170 -57.55 -38.45 74.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.84 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -67.74 -64.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.536 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -50.68 -20.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.71 -54.37 6.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.821 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -87.24 5.6 37.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.84 ' CG ' HD13 ' A' ' 124' ' ' LEU . 3.9 mmt -73.09 174.38 4.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 tt0 -105.04 -45.86 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.69 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.65 97.97 3.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 60.2 m -147.34 156.25 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.841 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.47 107.69 19.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.682 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -88.51 149.96 21.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.923 HD13 HG22 ' A' ' 197' ' ' VAL . 12.4 tp -139.74 102.88 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.025 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -83.78 142.52 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 136' ' ' LEU . 5.1 mm -130.64 95.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.802 HG23 HD23 ' A' ' 136' ' ' LEU . 19.1 p -104.08 170.7 7.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -139.67 177.72 7.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -134.35 -81.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.579 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.9 m-85 -23.28 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -26.22 139.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 0.9 OUTLIER 175.0 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -118.58 47.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.963 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 177.98 -31.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.707 ' N ' HD22 ' A' ' 145' ' ' LEU . 3.9 tp -89.64 130.08 35.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -40.8 110.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.65 131.61 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -75.0 119.39 5.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.98 138.97 23.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -94.34 18.91 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.6 p 38.07 52.84 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.676 ' CG1' HG21 ' A' ' 138' ' ' THR . 9.1 p -37.55 116.42 0.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.873 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.6 Cg_endo -74.91 112.85 3.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -33.33 -44.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.873 HG22 ' HB2' ' A' ' 154' ' ' PRO . 5.0 t -44.48 -39.73 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.769 ' CE2' HG11 ' A' ' 161' ' ' VAL . 66.9 t90 -65.81 -42.18 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.798 HD21 HD22 ' A' ' 136' ' ' LEU . 7.0 mp -57.04 -41.58 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.539 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.5 t-80 -79.47 -18.5 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.682 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -78.67 -37.96 40.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.769 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.76 -70.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -37.92 -29.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 5.8 t -53.78 98.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.13 -58.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.936 ' O ' HG22 ' A' ' 201' ' ' VAL . 26.1 m-80 -134.07 -48.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.763 ' HZ3' HD12 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -77.45 97.98 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -63.06 95.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 198' ' ' LEU . 3.2 m -70.26 126.66 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -123.34 154.09 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -72.26 136.57 46.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.827 HG21 HG23 ' A' ' 197' ' ' VAL . 38.5 t -155.48 159.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.403 ' N ' ' CG1' ' A' ' 171' ' ' VAL . . . 51.09 -150.27 6.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 140.09 -77.92 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 176' ' ' THR . 0.0 OUTLIER -36.24 147.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' A' ' 191' ' ' MET . 5.2 p-10 -67.12 71.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.635 ' HG1' ' CD2' ' A' ' 178' ' ' HIS . 3.1 t -89.33 73.62 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.581 ' C ' HD12 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -55.46 -39.8 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.635 ' CD2' ' HG1' ' A' ' 176' ' ' THR . 3.6 p-80 -53.83 -21.87 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.411 ' CB ' HG23 ' A' ' 176' ' ' THR . 8.5 t -69.74 -68.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 85.6 p -81.95 136.65 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -71.65 -29.11 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 1.061 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -64.9 -61.55 5.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.676 ' H ' HD22 ' A' ' 184' ' ' LEU . 1.3 mm? -68.76 -18.46 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.619 ' HB3' HD13 ' A' ' 146' ' ' LEU . . . -81.5 -29.46 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.04 74.34 1.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 1.061 HD23 ' HA2' ' A' ' 183' ' ' GLY . 3.6 mm? -88.96 -52.88 4.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.753 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 80.27 -4.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 2.4 mtt180 159.56 106.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.708 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.37 141.2 24.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.9 OUTLIER -58.59 132.72 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.455 ' HB2' ' CE ' ' A' ' 191' ' ' MET . 49.1 tt0 -129.71 116.01 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -107.23 123.13 47.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 137' ' ' ILE . 32.2 t -113.15 161.67 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.681 ' O ' HD12 ' A' ' 135' ' ' LEU . 19.8 m-85 -151.68 146.7 25.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.923 HG22 HD13 ' A' ' 135' ' ' LEU . 14.0 t -106.34 105.07 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.922 ' N ' HD23 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.05 99.61 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.11 95.04 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -63.55 87.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 165' ' ' ASN . 29.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 4' ' ' GLU . 8.6 mp0 -40.49 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m 65.04 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -140.54 86.89 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.712 HG21 ' CB ' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -131.94 78.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 36.58 96.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' CE ' ' HA3' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -46.84 -35.29 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.567 ' CG ' HG21 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -65.41 -48.43 72.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.56 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.1 tm? -55.4 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -55.6 -28.28 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.6 tt0 -67.49 -80.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.876 ' CE2' HG21 ' A' ' 171' ' ' VAL . 51.3 m-85 -44.07 -54.89 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.832 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -49.7 -52.64 29.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.6 m -50.68 -36.74 37.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -88.34 -62.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.7 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.7 mt -34.89 -52.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 45.8 t-20 65.15 39.51 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG12 ' CB ' ' A' ' 22' ' ' ALA . 80.3 t -41.43 142.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.107 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -39.97 149.47 0.28 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 110.96 -10.02 29.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.107 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.03 156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.92 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 12.1 tpp180 -80.94 117.76 21.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 1.085 HG11 HD13 ' A' ' 38' ' ' LEU . 21.5 t -104.99 102.01 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.809 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 1.9 tm? -87.03 135.18 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.779 HG12 ' HB3' ' A' ' 104' ' ' TYR . 32.3 m -140.35 103.3 6.61 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.725 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 139.36 24.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.725 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 17.36 56.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -82.76 -35.1 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 80.94 24.94 57.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' GLY . 19.4 ttmt 49.1 97.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' A' ' 181' ' ' ALA . 0.5 OUTLIER -117.24 -176.43 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.944 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -52.16 -29.86 24.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CG ' ' CD2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -63.86 -58.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.637 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -53.34 -39.7 64.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -71.31 -31.02 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.712 ' CB ' HG21 ' A' ' 5' ' ' VAL . 17.1 t90 -72.79 -35.07 67.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.085 HD13 HG11 ' A' ' 24' ' ' VAL . 12.0 mt -72.04 -57.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.5 t -53.26 -39.88 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.58 91.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 1.3 mm-40 -70.06 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.83 54.24 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.419 1.074 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -117.72 173.97 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 21' ' ' GLY . 16.5 m170 -93.88 78.72 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.953 HG12 HD11 ' A' ' 82' ' ' ILE . 95.2 t -73.43 119.0 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.945 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -142.93 102.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.717 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -137.16 -172.67 12.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.994 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -134.24 168.76 18.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -128.41 129.64 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.89 71.74 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -152.14 134.32 15.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 56' ' ' GLU . 1.8 mp0 -97.07 -43.22 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.61 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.94 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.66 HG23 ' SG ' ' A' ' 86' ' ' CYS . 1.2 t -65.27 -49.8 76.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -60.21 -44.6 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -58.24 -41.56 84.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -62.61 -43.34 99.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.694 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 3.7 m-30 -74.93 -18.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -81.96 -37.92 25.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 -41.98 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -82.41 -32.4 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 66.92 45.09 86.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.1 mt-10 77.55 144.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.617 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER 156.38 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.98 171.84 17.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 95.75 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.694 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 24.3 mm -97.75 119.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -126.25 143.33 51.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m -84.96 141.76 30.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.51 ' HG3' ' HB2' ' A' ' 91' ' ' ALA . 1.3 mm-40 -143.51 85.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.99 -112.01 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t0 -100.51 37.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 0.723 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CG ' ' HB2' ' A' ' 88' ' ' ASP . 67.8 m-85 -159.0 173.4 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.653 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 ttmt -128.5 169.79 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.567 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 1.1 m -142.99 110.38 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.713 ' CD2' ' O ' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -104.75 101.37 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.35 160.95 14.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.09 157.81 72.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.13 9.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.12 -49.05 6.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.953 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -122.22 158.41 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.642 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -100.23 53.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.67 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -106.69 111.03 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.994 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -98.9 100.58 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.976 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.66 ' SG ' HG23 ' A' ' 55' ' ' VAL . 9.1 t -71.56 141.88 50.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.4 -99.25 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.561 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 2.8 t70 -128.2 163.62 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.713 ' HA ' ' CZ3' ' A' ' 85' ' ' TRP . 9.7 t80 -121.6 108.63 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 160.31 47.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . . . -138.1 -44.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.033 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.41 -178.71 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.844 ' O ' HG22 ' A' ' 97' ' ' ILE . 3.9 m -126.38 80.17 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.809 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -44.35 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.1 ttt180 -76.78 -55.39 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.73 -52.18 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.945 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -64.86 -50.73 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -52.18 -78.65 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.1 t-160 71.17 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.774 . . . . 0.0 109.568 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.766 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 56.8 m -145.01 143.16 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.986 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.6 -108.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.832 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -165.65 176.84 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.629 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -152.73 120.6 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.779 ' HB3' HG12 ' A' ' 26' ' ' VAL . 72.2 t80 -100.49 132.92 45.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 4.7 t0 -126.1 155.97 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.6 172.11 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.513 ' HB1' HG12 ' A' ' 110' ' ' ILE . . . -50.92 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -134.44 -66.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.652 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.4 OUTLIER -55.58 -24.94 35.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 150' ' ' PRO . 2.8 pp -59.76 -28.79 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.596 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -73.7 -55.94 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.617 HD13 ' HG3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -63.62 166.34 9.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.601 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 178.11 7.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -57.67 -65.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -38.88 -53.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.617 ' HG3' HD13 ' A' ' 112' ' ' LEU . 37.2 tpp -61.93 -42.62 99.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.916 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -55.72 -42.79 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.667 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.8 mt-10 -65.76 -45.0 84.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 1.0 OUTLIER -65.76 -26.11 67.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.46 ' CE1' ' HE3' ' A' ' 109' ' ' MET . 12.8 t80 -74.73 -53.42 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.8 m -60.07 -47.71 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.513 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 2.5 pt20 -59.61 -47.41 85.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 20.2 m170 -57.14 -37.61 72.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.634 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.737 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -67.79 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.513 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -52.67 -18.22 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.32 -59.86 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.613 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -88.81 19.22 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.737 ' CG ' HD13 ' A' ' 124' ' ' LEU . 1.5 mmt -84.09 177.04 3.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.727 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.2 Cg_endo -75.04 -162.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 201' ' ' VAL . 1.0 OUTLIER -108.92 -47.48 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.766 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -131.88 98.23 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.536 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -155.73 154.25 31.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 108.273 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.777 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.9 p -102.87 110.93 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -90.95 152.84 21.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 196' ' ' TYR . 15.4 tp -141.53 98.62 3.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.811 HD22 HG23 ' A' ' 138' ' ' THR . 0.4 OUTLIER -80.88 133.32 35.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.794 HD13 ' HB ' ' A' ' 195' ' ' VAL . 6.2 mm -121.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.811 HG23 HD22 ' A' ' 136' ' ' LEU . 3.1 p -104.19 158.65 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.909 HD12 HD23 ' A' ' 146' ' ' LEU . 0.3 OUTLIER -89.55 176.7 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 mm-40 -137.08 -111.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' A' ' 140' ' ' GLU . 13.0 t80 -25.25 -62.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.582 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -29.26 144.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.499 ' HA ' ' CD ' ' A' ' 150' ' ' PRO . 7.2 pt20 -179.57 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.467 ' C ' HD12 ' A' ' 145' ' ' LEU . . . -122.77 61.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 171.65 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.909 HD23 HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -83.01 128.25 34.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 146' ' ' LEU . 18.4 mt-10 -43.87 102.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.478 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.29 148.17 22.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.662 ' HB3' HD13 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.93 160.29 40.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 113' ' ' PRO . 6.8 m-85 -115.04 14.16 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 151' ' ' PHE . 99.9 p 35.36 48.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.615 HG11 HG21 ' A' ' 138' ' ' THR . 6.6 p -37.03 111.49 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.1 Cg_endo -75.01 133.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -46.02 -47.42 16.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.3 OUTLIER -48.05 -43.66 30.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.655 ' CE2' HG11 ' A' ' 161' ' ' VAL . 45.8 t90 -62.29 -46.41 88.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -56.63 -40.19 74.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.618 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.4 OUTLIER -77.78 -17.36 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.749 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.84 -38.02 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.749 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.13 -58.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.702 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.74 6.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.68 ' H ' ' C ' ' A' ' 161' ' ' VAL . 32.3 t -103.7 101.24 11.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 155.36 54.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.583 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 4.8 m-20 149.75 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.702 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.76 130.16 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.007 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.3 OUTLIER -86.46 92.7 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 1.048 HG13 HD22 ' A' ' 198' ' ' LEU . 51.0 t -79.21 135.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.937 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.95 134.34 50.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 127.28 28.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 1.005 HG12 ' HA ' ' A' ' 196' ' ' TYR . 11.9 p -164.09 -173.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.958 ' H ' HG22 ' A' ' 171' ' ' VAL . . . 111.9 -150.04 18.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.504 ' HA3' ' CE ' ' A' ' 7' ' ' LYS . . . -163.1 138.75 5.5 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 176' ' ' THR . 0.8 OUTLIER -97.65 162.78 13.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 46.56 24.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.744 ' O ' HG23 ' A' ' 176' ' ' THR . 14.5 t -104.35 74.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.2 tm? -61.59 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.93 -42.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.447 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.0 t -90.59 108.57 19.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' A' ' 32' ' ' SER . . . -45.5 -54.22 7.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -46.2 -26.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.8 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -58.99 -48.08 87.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.484 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.4 OUTLIER -81.95 -20.31 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.803 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.75 53.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.883 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -107.84 -40.24 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.74 1.24 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.883 HD11 ' HB3' ' A' ' 186' ' ' ALA . 1.1 mp -105.2 -16.54 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.514 ' CA ' ' HG ' ' A' ' 177' ' ' LEU . 13.5 pm0 36.36 31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.543 ' N ' ' HG ' ' A' ' 177' ' ' LEU . 0.3 OUTLIER 157.26 105.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.693 ' SD ' HD13 ' A' ' 188' ' ' LEU . 2.5 ptt? -167.29 154.0 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 23.3 t0 -93.65 139.76 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 36.8 tt0 -125.21 118.3 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -102.03 123.19 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.964 ' CG2' HG13 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -122.48 165.91 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 1.005 ' HA ' HG12 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -148.54 144.21 27.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.937 HG12 HG22 ' A' ' 169' ' ' THR . 2.8 p -101.69 107.25 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 1.048 HD22 HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -95.91 133.53 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.521 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -96.68 91.61 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -61.01 95.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.4 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.2 m80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -117.94 -78.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.57 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.95 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.57 84.51 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.585 HG13 ' OE1' ' A' ' 10' ' ' GLN . 1.5 p -131.72 139.13 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.653 ' OD1' HG21 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -33.24 99.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.11 -30.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.633 ' OD2' HG21 ' A' ' 195' ' ' VAL . 2.3 m-20 -69.03 -61.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.768 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.3 tm? -45.28 -58.87 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.585 ' OE1' HG13 ' A' ' 5' ' ' VAL . 10.3 pt20 -57.83 -39.7 78.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 49.5 tt0 -69.76 -76.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 171' ' ' VAL . 55.2 m-85 -43.82 -54.42 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.994 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.6 t-105 -53.63 -50.99 64.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.4 t -53.25 -28.95 30.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 t -86.23 -44.05 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.053 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.582 HD13 ' CB ' ' A' ' 133' ' ' SER . 2.2 mt -54.37 -33.6 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LEU . 51.1 t30 39.4 39.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 19' ' ' VAL . 10.6 p -47.5 155.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.038 HG23 ' HB2' ' A' ' 22' ' ' ALA . 10.8 m -31.63 144.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.99 4.18 56.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.038 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -44.94 159.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.912 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 12.2 mmt85 -81.18 116.98 21.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.964 HG11 ' HG ' ' A' ' 38' ' ' LEU . 91.3 t -103.28 111.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.811 HD12 HD11 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -84.24 152.71 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.995 HG13 ' HB2' ' A' ' 29' ' ' CYS . 2.1 t -139.16 89.79 12.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.04 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 41.73 27.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.995 ' HB2' HG13 ' A' ' 26' ' ' VAL . 90.6 m -100.63 -15.99 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.882 ' O ' HG11 ' A' ' 26' ' ' VAL . . . 57.61 -114.23 5.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 18.4 mttt -111.01 -94.55 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.743 ' HB3' ' HB2' ' A' ' 181' ' ' ALA . 17.4 m 74.71 167.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -36.11 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.86 -58.02 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.855 ' HG2' HG11 ' A' ' 45' ' ' VAL . 2.1 tmt? -53.47 -53.47 51.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 m -56.97 -29.27 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.551 ' HD1' HG11 ' A' ' 5' ' ' VAL . 10.2 t90 -73.67 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.964 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -66.5 -66.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -46.85 56.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.18 -17.3 16.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -96.04 -38.33 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.97 59.99 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.483 ' HE2' HG13 ' A' ' 18' ' ' VAL . 15.0 m-85 -129.61 164.32 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.433 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -80.43 83.32 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.855 HG11 ' HG2' ' A' ' 35' ' ' MET . 97.7 t -72.38 117.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.828 ' CG2' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -145.91 144.09 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.718 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 174.37 -177.35 46.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -123.97 157.76 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.91 97.56 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.963 HD21 ' HB3' ' A' ' 89' ' ' PHE . 1.5 mm? -69.43 75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -152.09 133.25 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -98.1 -53.45 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -34.99 78.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -70.31 -35.82 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 ' SG ' ' A' ' 86' ' ' CYS . 0.9 OUTLIER -62.04 -51.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.48 -43.34 97.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -37.12 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 1.7 m-30 -64.15 -44.03 93.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 55' ' ' VAL . 7.0 m-30 -71.21 -28.72 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -37.54 47.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.98 -45.27 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 29.8 mtt85 -77.58 -33.35 53.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.92 38.69 48.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 2.1 mt-10 74.21 146.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.9 OUTLIER 162.54 -48.77 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.91 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 110.77 23.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 77' ' ' TYR . 7.2 mm -106.6 123.16 61.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.741 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -124.47 151.0 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.8 m -107.49 101.43 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.534 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -89.56 85.42 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.62 -90.86 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.31 -13.89 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.2 m-85 -98.4 173.03 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.545 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.3 tttt -127.65 158.44 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.779 HG23 ' CB ' ' A' ' 85' ' ' TRP . 0.1 OUTLIER -142.28 107.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.03 102.91 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.51 142.87 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.36 155.93 49.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.34 3.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.09 -55.19 0.77 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.821 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -110.84 161.59 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.683 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -104.04 52.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.5 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -104.65 122.69 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.843 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -111.33 105.61 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.592 ' SG ' HG23 ' A' ' 55' ' ' VAL . 3.7 t -71.28 137.83 48.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.549 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 139.83 -105.22 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -133.11 164.22 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.963 ' HB3' HD21 ' A' ' 50' ' ' LEU . 1.9 t80 -114.53 102.58 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.617 ' CZ ' ' NE2' ' A' ' 123' ' ' HIS . 0.2 OUTLIER 169.3 56.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -154.68 -45.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.973 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.01 176.9 7.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 1.001 HG22 ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -111.48 86.8 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 1.033 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -51.18 -21.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 1.001 ' HG3' HG22 ' A' ' 93' ' ' THR . 5.7 ptm180 -81.2 -38.4 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.503 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 36.8 t0 -71.85 -36.48 70.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.828 HD12 ' CG2' ' A' ' 46' ' ' VAL . 1.7 pt -79.62 -53.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.575 ' HA3' ' HG3' ' A' ' 129' ' ' PRO . . . -54.62 -61.8 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.599 ' N ' ' HG3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 43.59 -90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.617 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.863 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 1.4 p -130.01 128.31 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.999 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 153.8 -111.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.994 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -173.38 -171.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.794 ' CE1' ' CA ' ' A' ' 134' ' ' GLY . 8.1 p90 -167.33 144.59 4.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.644 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 74.9 t80 -100.01 114.99 28.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.626 ' CG ' HD12 ' A' ' 136' ' ' LEU . 6.4 t0 -101.56 134.45 44.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 ttm180 -101.31 172.01 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.97 ' HB2' ' HA ' ' A' ' 138' ' ' THR . . . -70.79 93.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' HD23 ' A' ' 112' ' ' LEU . . . -118.48 -37.31 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.693 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.08 -28.65 68.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.679 HG22 ' HB ' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -71.45 -11.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.42 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -94.29 -51.37 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.584 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -76.1 167.18 38.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.99 160.51 40.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -46.96 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.5 m-20 -39.12 -52.59 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.58 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 28.5 tpp -60.33 -43.27 96.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.852 ' O ' HG13 ' A' ' 121' ' ' VAL . 14.0 mtt180 -56.25 -48.62 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.598 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.9 mt-10 -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -69.35 -22.08 63.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -79.59 -50.04 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -63.77 -38.39 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -69.31 -50.19 48.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.633 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 8.4 t-80 -58.26 -42.8 87.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.666 HD12 ' CZ3' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -59.47 -65.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.489 ' HA ' ' HB2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -54.23 -20.39 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -68.83 -56.68 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 1.033 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.01 13.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.934 ' HE1' ' HB1' ' A' ' 94' ' ' ALA . 8.2 mmt -85.81 159.72 54.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.599 ' HG3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.02 -95.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.605 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -178.35 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.863 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -119.67 104.27 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.697 ' O ' ' CB ' ' A' ' 200' ' ' ARG . 1.2 m -173.15 129.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.903 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -83.89 107.39 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.794 ' CA ' ' CE1' ' A' ' 103' ' ' PHE . . . -86.26 134.69 12.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 1.083 HD13 HD11 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -130.21 98.52 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.059 ' O ' HD13 ' A' ' 137' ' ' ILE . 1.6 tp -83.16 143.47 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 1.083 HD11 HD13 ' A' ' 135' ' ' LEU . 5.9 mm -131.89 92.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.97 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 6.7 p -97.84 -178.89 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.46 ' CB ' ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -146.05 165.09 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.6 OUTLIER -127.9 -79.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.539 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.4 OUTLIER -25.75 -66.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.868 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.41 142.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.8 OUTLIER 174.06 -32.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.62 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.44 52.41 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.016 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 174.78 -29.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -88.27 115.82 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.72 ' N ' HD12 ' A' ' 146' ' ' LEU . 41.6 mm-40 -39.42 102.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.2 133.14 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.46 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.2 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -83.63 18.17 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 153' ' ' VAL . 10.2 p 35.82 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.97 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.679 ' HB ' HG22 ' A' ' 110' ' ' ILE . 9.8 p -34.51 121.95 0.55 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.74 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -74.95 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -40.31 -42.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.74 HG22 ' HB2' ' A' ' 154' ' ' PRO . 9.0 t -52.67 -35.0 54.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.616 ' CE2' HG11 ' A' ' 161' ' ' VAL . 84.4 t90 -62.45 -58.73 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.519 HD21 ' CE ' ' A' ' 109' ' ' MET . 1.9 mt -49.39 -40.21 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.564 ' O ' ' CB ' ' A' ' 163' ' ' SER . 53.0 t-80 -72.29 -23.14 61.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.599 ' CG ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.93 -33.99 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.642 HG22 ' N ' ' A' ' 162' ' ' MET . 0.2 OUTLIER -114.23 -72.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.642 ' N ' HG22 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -38.46 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 10.9 t -53.86 88.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 162.9 105.34 0.19 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.653 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 0.2 OUTLIER 96.23 -19.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 109.304 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.666 ' CZ3' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -146.32 130.99 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 107.974 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.0 mt-10 -92.0 91.79 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.813 HG12 ' HB3' ' A' ' 198' ' ' LEU . 2.5 m -68.18 133.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.898 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -125.79 113.22 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 140.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 1.009 HG11 HG23 ' A' ' 197' ' ' VAL . 0.3 OUTLIER -172.3 171.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.603 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 114.18 -167.82 12.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -167.34 -173.28 35.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 0.6 OUTLIER -113.7 154.5 27.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 70.95 17.17 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.974 HG23 ' HB3' ' A' ' 193' ' ' GLU . 2.4 t -116.86 74.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -82.13 -35.73 28.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.947 ' N ' HD13 ' A' ' 177' ' ' LEU . 0.9 OUTLIER -49.88 -46.06 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 178' ' ' HIS . 4.5 m -31.72 -56.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.452 ' N ' ' OE2' ' A' ' 193' ' ' GLU . 32.8 t -85.21 151.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.743 ' HB2' ' HB3' ' A' ' 32' ' ' SER . . . -85.03 -60.47 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 106' ' ' ARG . 0.6 OUTLIER -39.41 -36.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -58.1 -56.28 26.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.749 HD21 ' ND1' ' A' ' 178' ' ' HIS . 3.3 mt -57.75 -32.06 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.8 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -70.64 -31.11 67.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -87.02 -39.17 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.406 ' O ' HD23 ' A' ' 145' ' ' LEU . . . 101.3 66.25 0.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 1.016 HD13 HD21 ' A' ' 145' ' ' LEU . 3.7 mm? -92.24 -16.06 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 188' ' ' LEU . 6.0 pt-20 29.83 70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.949 ' H ' HD12 ' A' ' 177' ' ' LEU . 0.0 OUTLIER 70.71 99.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.694 ' HG3' ' HB3' ' A' ' 188' ' ' LEU . 4.1 mmt -147.95 155.49 41.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 t0 -48.88 114.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.974 ' HB3' HG23 ' A' ' 176' ' ' THR . 1.0 OUTLIER -121.66 121.6 37.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -93.1 150.44 20.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.748 ' C ' HG13 ' A' ' 171' ' ' VAL . 75.4 t -141.18 151.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.811 ' CZ ' HG23 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -146.32 125.2 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 1.009 HG23 HG11 ' A' ' 171' ' ' VAL . 51.9 t -97.21 93.3 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.813 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -96.51 109.63 22.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.574 ' O ' HG13 ' A' ' 201' ' ' VAL . 0.8 OUTLIER -79.21 98.93 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.887 ' CZ ' ' SD ' ' A' ' 128' ' ' MET . 11.2 ttm180 -62.97 98.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.8 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -174.55 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -54.55 -59.78 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -137.89 84.9 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -131.64 78.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.583 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 32.05 97.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.95 -34.74 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -67.42 -51.61 49.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.749 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.7 tm? -49.99 -64.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.0 pt20 -57.57 -34.49 69.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.4 tt0 -68.81 -79.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 171' ' ' VAL . 48.6 m-85 -43.81 -54.6 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.969 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.1 t-105 -51.05 -55.33 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -45.83 -40.06 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -79.23 -49.66 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -39.25 -51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.0 t-20 67.31 39.55 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG12 ' CB ' ' A' ' 22' ' ' ALA . 75.2 t -50.79 142.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.137 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.75 150.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.73 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 107.86 -6.22 35.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.137 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -36.67 155.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.892 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 21.1 mmt-85 -81.41 114.6 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG13 ' HH2' ' A' ' 13' ' ' TRP . 12.0 t -105.76 108.77 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.742 HD23 ' HB2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.55 154.01 18.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 104' ' ' TYR . 31.4 m -151.86 103.22 2.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 1.027 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 128.09 11.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.027 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 35.58 35.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' O ' ' SG ' ' A' ' 29' ' ' CYS . 23.2 t -127.12 33.08 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -32.4 -41.68 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' GLY . 3.3 tttp 41.38 -163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' MET . 0.3 OUTLIER -152.59 -44.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' OE1' ' HB2' ' A' ' 181' ' ' ALA . 0.0 OUTLIER -73.18 -38.66 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.7 t70 -62.52 -58.35 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.474 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 m -67.62 -36.02 80.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.58 ' HB2' HG21 ' A' ' 5' ' ' VAL . 44.4 t90 -68.25 -48.38 65.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 35' ' ' MET . 8.2 mt -59.73 -63.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -43.73 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.96 -28.86 71.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 38' ' ' LEU . 3.1 tp-100 -83.06 -30.0 28.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 102.4 71.3 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -142.52 170.44 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -86.1 97.68 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.844 HG12 HD11 ' A' ' 82' ' ' ILE . 21.3 t -88.32 99.5 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.4 p -136.12 106.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -136.29 -177.48 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 1.133 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -135.39 156.73 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -120.61 130.78 54.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -102.7 67.8 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.944 ' O ' HG13 ' A' ' 55' ' ' VAL . 44.0 m -153.5 95.49 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -58.39 -59.23 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.53 -38.68 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -59.1 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -57.09 -34.35 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-10 -64.14 -45.79 86.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 2.8 m-30 -73.03 -37.47 66.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 6.1 m-30 -76.04 -29.35 58.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.73 -35.46 33.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.86 -41.69 61.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 16.2 mtt85 -82.53 -34.93 27.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.84 37.26 26.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.7 mt-10 73.52 150.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.1 mt-30 161.97 -48.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.75 112.49 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.681 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 37.9 mm -107.19 121.14 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.639 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -123.82 147.42 47.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -104.73 104.47 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.454 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -92.23 85.61 5.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.61 -91.29 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.74 -6.7 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 21.4 m-85 -104.03 173.35 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.549 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.6 tttt -128.24 160.17 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 69' ' ' THR . 1.8 m -142.87 109.2 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.699 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -107.68 101.02 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.83 143.89 29.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.07 155.26 43.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 4.72 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.41 -47.0 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.844 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -132.99 172.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.235 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.711 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -100.94 51.49 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.521 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -106.4 114.04 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 1.133 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -101.26 102.31 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.629 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -70.54 140.01 51.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.752 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 137.27 -99.01 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -138.24 163.39 31.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 0.799 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.811 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 1.3 t80 -109.55 106.52 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.1 OUTLIER 178.0 45.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 176.87 59.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -143.73 -32.04 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.988 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 65.29 74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.687 ' O ' ' HA3' ' A' ' 98' ' ' GLY . . . -55.96 -12.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.988 ' HG2' HG22 ' A' ' 93' ' ' THR . 16.1 ptt180 -79.84 -49.44 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.227 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 5.9 t0 -69.47 -51.13 38.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.917 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -71.65 -34.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.687 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -65.73 -76.31 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.788 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.02 -84.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.571 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.792 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 32.1 p -143.33 141.37 30.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.915 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.12 -106.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.969 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -171.41 172.23 5.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.742 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 p90 -155.89 117.54 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 1.051 ' CZ ' HD13 ' A' ' 137' ' ' ILE . 3.7 t80 -91.18 144.28 25.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' OD1' ' CG ' ' A' ' 27' ' ' PRO . 3.0 m-20 -128.11 140.31 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -104.82 172.25 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.976 ' CB ' HD11 ' A' ' 139' ' ' LEU . . . -49.65 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.84 -48.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.888 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.88 -22.17 65.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 1.029 HG22 HG23 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -72.36 -3.87 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -126.28 20.26 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.957 HD23 ' CG ' ' A' ' 116' ' ' MET . 1.2 mp -129.45 148.55 69.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.621 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 154.81 42.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -41.19 -66.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 114' ' ' ALA . 15.1 t70 -39.32 -48.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.957 ' CG ' HD23 ' A' ' 112' ' ' LEU . 9.6 tpp -69.37 -33.97 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.925 ' O ' HG13 ' A' ' 121' ' ' VAL . 2.4 mmp_? -57.61 -52.64 64.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.718 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.3 mt-10 -64.94 -48.86 72.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.66 -24.26 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.573 ' OH ' HD21 ' A' ' 28' ' ' LEU . 37.9 t80 -81.71 -60.27 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -56.43 -33.36 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 6.7 pt20 -74.9 -49.57 19.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.537 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 19.7 t60 -58.22 -34.76 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.733 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -69.36 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.549 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.2 OUTLIER -51.66 -20.49 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.708 ' C ' HD12 ' A' ' 127' ' ' LEU . 0.1 OUTLIER -82.01 1.72 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.761 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.0 mmt -64.49 178.85 0.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.788 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.01 -99.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 201' ' ' VAL . 2.8 mt-30 174.47 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.792 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -123.7 83.25 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 1.7 p -151.61 170.82 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.783 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -115.6 110.67 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.695 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -87.63 138.59 15.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.724 HD13 HG23 ' A' ' 197' ' ' VAL . 6.5 tp -128.12 100.17 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.888 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -87.46 140.73 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 1.051 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 3.0 mp -135.12 114.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.602 ' HB ' HG21 ' A' ' 110' ' ' ILE . 29.5 p -120.1 -174.34 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.976 HD11 ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -134.58 -86.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -21.11 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.663 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -29.54 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 3.1 pt20 167.85 -28.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.73 47.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.002 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 176.03 -30.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 145' ' ' LEU . 1.8 tp -89.02 120.53 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.7 101.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 95.67 122.46 3.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.07 125.26 9.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -85.59 30.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 151' ' ' PHE . 1.7 p 26.24 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 1.029 HG23 HG22 ' A' ' 110' ' ' ILE . 1.7 t -62.73 127.24 90.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.756 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -74.97 111.99 3.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.645 ' HG2' ' CE1' ' A' ' 196' ' ' TYR . 1.3 mt-30 -39.64 -30.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.756 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -65.51 -37.57 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.607 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 9.7 t90 -63.66 -43.26 97.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.803 HD21 HD13 ' A' ' 136' ' ' LEU . 2.3 mp -61.2 -57.36 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 163' ' ' SER . 3.5 t60 -62.04 -17.16 56.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.519 ' HG2' ' N ' ' A' ' 161' ' ' VAL . 10.6 ttm180 -78.92 -60.47 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.718 HG21 ' HG2' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -96.16 -49.71 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.656 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -58.92 5.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.643 ' H ' ' C ' ' A' ' 161' ' ' VAL . 48.0 t -108.82 97.08 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 171.68 46.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.6 m120 149.88 -14.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.656 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.72 120.77 10.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.578 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.9 mt-10 -74.57 89.51 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.75 HG12 ' HB3' ' A' ' 198' ' ' LEU . 2.7 m -74.26 126.02 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.922 HG22 HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -120.74 145.37 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 196' ' ' TYR . 10.2 pttt -69.43 141.59 54.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.67 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -170.69 167.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.563 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.03 -159.05 16.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.604 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 178.14 179.61 48.2 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.589 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 18.5 pt20 -109.52 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.13 10.84 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.632 ' O ' HG23 ' A' ' 176' ' ' THR . 10.2 t -116.56 74.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.649 ' C ' HD12 ' A' ' 177' ' ' LEU . 0.6 OUTLIER -70.2 -39.22 75.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.418 ' N ' HD12 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -53.47 -19.61 3.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.6 p -57.56 -27.08 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.42 160.99 33.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.407 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . . . -86.8 -29.64 22.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -20.3 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 1.044 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -61.39 -54.07 39.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.68 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -83.1 -15.98 48.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -38.09 70.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.591 ' CB ' HD13 ' A' ' 146' ' ' LEU . . . -106.52 -31.94 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.8 73.47 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 1.044 HD23 ' HA2' ' A' ' 183' ' ' GLY . 3.8 mm? -86.22 -51.11 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.401 0.707 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 15.5 mm-40 76.56 -3.37 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 159.05 102.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.464 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -145.61 155.23 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -81.01 128.75 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.604 ' O ' ' O ' ' A' ' 173' ' ' GLY . 1.0 OUTLIER -120.43 116.88 26.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -91.99 155.78 17.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.59 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.864 HG22 HG13 ' A' ' 137' ' ' ILE . 55.1 t -146.25 148.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.729 ' O ' HD23 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -141.32 114.6 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.922 HG12 HG22 ' A' ' 169' ' ' THR . 6.0 p -88.3 98.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.75 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -100.24 126.12 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.1 tt0 -92.6 104.73 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.671 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -68.81 98.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.5 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -178.52 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -42.4 -65.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -140.4 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.6 p -131.69 78.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.534 ' C ' ' O ' ' A' ' 5' ' ' VAL . 2.1 t-20 28.9 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.71 -36.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' OD2' HG21 ' A' ' 195' ' ' VAL . 1.3 m-20 -64.72 -53.4 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.605 HD23 ' CE1' ' A' ' 104' ' ' TYR . 3.2 tm? -50.63 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 14' ' ' SER . 17.1 pt20 -53.83 -34.39 59.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.3 tp60 -70.54 -76.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.524 ' CE2' HG21 ' A' ' 171' ' ' VAL . 25.7 m-85 -43.83 -52.39 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.941 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 3.7 t-105 -55.06 -50.95 67.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -51.46 -31.94 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -55.08 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.35 -42.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 45.67 32.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.506 HG13 ' HE2' ' A' ' 43' ' ' TYR . 10.9 p -44.37 154.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 1.115 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -32.78 143.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.32 2.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 43' ' ' TYR . . . 103.76 0.98 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.115 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -41.13 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.964 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.2 mmt85 -81.94 113.39 19.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.842 HG11 ' CD2' ' A' ' 38' ' ' LEU . 5.0 t -104.46 113.28 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.953 HD22 ' HE1' ' A' ' 128' ' ' MET . 0.1 OUTLIER -93.05 153.46 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.867 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -139.88 91.13 10.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.955 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.977 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 31.8 68.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.779 ' CB ' HG23 ' A' ' 26' ' ' VAL . 4.5 t -117.64 -33.74 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.86 -100.89 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.432 1.083 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HE3' ' CZ ' ' A' ' 58' ' ' TYR . 8.4 pttp -179.41 130.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.9 -153.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 1.1 mp0 -71.54 -20.63 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -65.48 -57.91 7.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -69.25 -35.6 76.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -67.91 -28.79 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CE3' HD12 ' A' ' 38' ' ' LEU . 9.4 t90 -77.7 -42.33 34.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.842 ' CD2' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -56.75 -64.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -58.66 -51.91 67.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.89 -17.91 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -94.08 -37.46 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.75 60.38 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.506 ' HE2' HG13 ' A' ' 18' ' ' VAL . 20.8 m-85 -138.97 165.79 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.4 OUTLIER -81.68 99.92 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.799 HG12 HD11 ' A' ' 82' ' ' ILE . 42.8 t -93.38 97.09 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.931 HG13 HD12 ' A' ' 97' ' ' ILE . 2.3 p -132.47 117.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.867 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -153.93 -172.67 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.905 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -145.75 167.18 23.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -122.35 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.692 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 2.2 mm? -96.03 63.45 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.686 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 37.8 m -151.99 143.39 23.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -98.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.06 -23.66 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -70.38 -46.56 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -61.25 -48.78 87.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 mt-10 -60.48 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -64.13 -26.33 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.554 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -73.2 -44.25 60.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.26 -32.13 71.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -39.08 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 57' ' ' ARG . 6.6 mm-40 -61.72 -45.96 91.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB3' ' HG2' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -84.37 -38.5 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.8 42.77 44.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 66' ' ' PRO . 3.2 pt-20 -147.13 62.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.3 pt20 -32.49 93.49 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.666 ' HG2' ' CD2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.0 -154.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -65.55 78.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.662 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 48.1 mm -92.18 117.44 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.658 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -126.71 143.18 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.379 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 24.9 t -99.73 117.23 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' CA ' ' OE1' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -106.74 85.54 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.78 -97.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t0 -113.31 27.85 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 88' ' ' ASP . 19.7 m-85 -140.62 172.76 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.9 tttp -129.31 161.06 31.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.658 HG13 HG22 ' A' ' 69' ' ' THR . 1.3 m -142.09 106.33 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.818 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -102.23 101.55 11.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.72 156.6 40.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.05 -64.41 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.799 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -99.03 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.678 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -109.79 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.574 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -107.03 119.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.905 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -109.42 109.64 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 77' ' ' TYR . 1.6 t -75.09 141.85 43.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.47 -94.22 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.657 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 3.9 t70 -135.39 161.83 34.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.863 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -137.52 128.76 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.699 ' HB3' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 168.57 -22.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.417 ' N ' ' CD1' ' A' ' 90' ' ' PHE . . . -109.24 59.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -146.09 -28.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.94 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 70.17 90.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.898 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -58.7 -14.25 8.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.94 ' HG2' HG22 ' A' ' 93' ' ' THR . 19.1 ptt180 -83.07 -43.4 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.88 -45.9 91.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.931 HD12 HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -78.71 -51.09 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -53.43 -72.8 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.696 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 8.0 t-80 55.53 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 30.2 p -143.98 132.1 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.979 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 149.32 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.941 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -166.94 -178.36 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.721 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.8 p90 -162.91 127.01 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.605 ' CE1' HD23 ' A' ' 9' ' ' LEU . 8.3 t80 -93.23 113.29 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 106' ' ' ARG . 49.0 t0 -99.16 134.16 42.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -96.12 172.15 8.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.963 ' HB1' HD11 ' A' ' 110' ' ' ILE . . . -67.45 94.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -126.25 -38.36 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.571 ' HB2' ' NH2' ' A' ' 117' ' ' ARG . 7.7 mmt -63.73 -37.9 89.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.963 HD11 ' HB1' ' A' ' 107' ' ' ALA . 9.8 pt -65.34 -12.02 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -88.93 7.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -140.42 166.78 20.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -74.97 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.64 -63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 38.3 t0 -39.67 -61.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.553 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 18.2 tpp -54.9 -39.84 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.772 ' CZ ' HG21 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -55.52 -55.87 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 4.5 mt-10 -65.58 -23.35 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.6 OUTLIER -69.59 -55.49 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 2.3 t80 -72.51 -34.53 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.726 HG22 ' CE ' ' A' ' 162' ' ' MET . 1.2 t -60.33 -58.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.61 ' N ' HG12 ' A' ' 121' ' ' VAL . 12.2 pt20 -58.55 -49.47 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.445 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 3.5 m170 -55.08 -36.56 65.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.664 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -67.43 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.518 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 1.5 pp20? -51.27 -19.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.57 -52.24 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.5 -4.82 59.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.953 ' HE1' HD22 ' A' ' 25' ' ' LEU . 5.6 mmt -60.53 174.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.696 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.04 -165.11 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -101.3 -49.36 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.675 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.28 97.54 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 35.9 m -150.29 154.7 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 108.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.785 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -97.73 107.72 20.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.68 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.69 146.28 18.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.64 108.16 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.596 HD12 HD21 ' A' ' 198' ' ' LEU . 0.4 OUTLIER -89.7 136.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.528 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 13.0 mm -118.79 93.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.551 HG23 HD22 ' A' ' 136' ' ' LEU . 34.5 p -105.19 174.0 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.985 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -141.87 179.11 7.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' TYR . 5.7 mt-10 -136.3 -73.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.498 ' O ' ' C ' ' A' ' 142' ' ' ASP . 68.8 t80 -32.43 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.7 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.4 OUTLIER -31.98 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.8 pt20 164.87 -21.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -132.67 48.73 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.867 HD21 ' CG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 178.21 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.748 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -86.28 166.07 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.438 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -64.68 110.26 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.63 142.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.08 119.72 5.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.538 ' HB3' HD12 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.94 132.7 15.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.3 OUTLIER -78.81 13.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' PHE . 11.9 p 35.83 54.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.772 HG21 ' CZ ' ' A' ' 117' ' ' ARG . 11.8 p -46.72 122.29 7.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.782 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.6 Cg_endo -74.95 129.08 12.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.623 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 20.5 tp60 -43.6 -39.55 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.782 HG22 ' HB2' ' A' ' 154' ' ' PRO . 10.2 t -56.48 -31.67 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.664 ' CZ3' ' NH1' ' A' ' 117' ' ' ARG . 36.9 t90 -66.55 -55.78 13.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.5 mt -55.83 -28.08 54.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.688 ' O ' ' CB ' ' A' ' 163' ' ' SER . 27.7 t-80 -84.59 -21.06 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.645 ' CG ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -84.21 -34.44 23.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.16 -63.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.726 ' CE ' HG22 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -56.23 6.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.688 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 41.7 t -99.01 95.31 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 154.09 51.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.097 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 201' ' ' VAL . 3.5 m-20 155.09 -24.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.2 116.09 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 107.984 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.94 99.11 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.872 HG13 ' HG ' ' A' ' 198' ' ' LEU . 0.4 OUTLIER -87.6 131.74 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.867 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -123.9 145.06 49.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -68.48 134.09 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -160.74 165.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 95.41 -143.72 16.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.19 -165.78 33.91 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.1 pp0? -110.6 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 0.6 OUTLIER 74.93 6.19 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 176' ' ' THR . 10.3 t -115.68 74.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 1.067 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -83.43 -34.34 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.473 ' N ' HD13 ' A' ' 177' ' ' LEU . 4.5 p80 -58.39 -42.35 86.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.642 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -65.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 191' ' ' MET . 26.1 t -72.96 121.18 19.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.08 91.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.4 ' NH2' ' NZ ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -46.4 -41.05 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.542 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -58.75 -62.78 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.87 -36.23 16.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LYS . . . . . 0.4 ' NZ ' ' NH2' ' A' ' 182' ' ' ARG . 3.0 tttp -59.16 -53.76 54.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -68.48 -40.04 81.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.11 76.84 1.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.867 ' CG ' HD21 ' A' ' 145' ' ' LEU . 2.0 mp -111.53 -22.03 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 177' ' ' LEU . 16.0 pt-20 37.21 30.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 189' ' ' GLU . 0.2 OUTLIER 159.7 96.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.985 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -150.69 153.67 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 5.3 m-20 -83.97 122.12 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 173' ' ' GLY . 23.4 tt0 -114.43 114.3 25.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -99.54 123.05 43.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.654 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.567 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 42.6 t -112.44 150.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.664 ' HB3' HG12 ' A' ' 168' ' ' VAL . 14.2 m-85 -143.02 117.64 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.867 HG12 HG22 ' A' ' 169' ' ' THR . 2.3 p -84.83 100.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.872 ' HG ' HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -99.28 96.61 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 100.58 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.579 ' CD ' ' HB3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -66.51 105.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' ASN . 16.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.83 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.76 -81.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.47 84.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -131.1 78.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.517 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 1.6 t-20 32.94 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.38 -35.0 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' TYR . 12.1 m-20 -65.89 -50.27 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.522 HD13 ' C ' ' A' ' 9' ' ' LEU . 3.3 tm? -53.49 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 14' ' ' SER . 5.4 pt20 -56.33 -31.17 63.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 6.7 tp60 -73.26 -77.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.899 ' CE1' HG21 ' A' ' 197' ' ' VAL . 27.3 m-85 -43.89 -47.03 8.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.108 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.4 t-105 -61.59 -49.11 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -51.14 -42.7 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . 3.2 m -79.13 -48.12 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -42.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 61.92 57.47 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 90.9 t -70.6 139.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.891 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.1 p -42.69 145.42 0.86 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.82 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 45.63 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.52 33.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.059 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -90.88 157.88 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.896 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.6 mmt85 -90.82 127.34 36.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.735 HG13 ' HH2' ' A' ' 13' ' ' TRP . 11.4 t -107.21 105.65 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.967 HD23 HD11 ' A' ' 97' ' ' ILE . 1.7 tm? -86.3 134.03 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.618 ' HB ' ' CB ' ' A' ' 29' ' ' CYS . 11.1 m -136.08 106.04 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 134.08 17.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.75 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 33.95 36.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.618 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 1.9 t -90.37 -35.01 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.5 ' HA2' HD12 ' A' ' 84' ' ' ILE . . . 64.2 -102.04 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -133.72 155.07 50.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.64 171.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -55.1 -32.55 62.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.48 -57.33 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.866 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -53.92 -51.65 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -58.6 -36.51 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.679 ' HB2' HG21 ' A' ' 5' ' ' VAL . 73.4 t90 -61.16 -48.18 82.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 35' ' ' MET . 6.6 mt -60.77 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 -34.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.47 -38.26 58.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' LEU . 21.2 mm-40 -74.57 -27.77 60.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.88 68.38 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -131.79 172.93 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.32 86.57 5.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.908 HG12 HD11 ' A' ' 82' ' ' ILE . 86.6 t -78.14 114.08 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.905 ' CG2' HD12 ' A' ' 97' ' ' ILE . 2.8 p -141.95 119.94 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.698 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -156.66 -172.45 23.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.989 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.45 164.04 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -123.2 131.79 53.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.851 HD21 ' HB3' ' A' ' 89' ' ' PHE . 1.5 mm? -99.54 73.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.783 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.58 135.79 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -98.36 -46.85 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.17 87.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -64.98 -33.94 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -64.8 -51.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.97 -42.6 98.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -62.08 -38.14 87.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -65.38 -41.72 93.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 3.8 m-30 -72.58 -26.68 61.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.15 -37.55 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -82.45 -34.83 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.55 36.85 28.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.4 mt-10 76.24 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 165.67 -51.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.07 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.02 106.83 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.427 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 14.1 mm -100.79 128.47 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.666 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.15 153.71 46.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.8 p -112.78 99.13 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.5 mm-40 -89.62 85.34 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.41 -91.66 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.09 -8.66 12.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 40.2 m-85 -102.8 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.569 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 7.9 tttt -128.73 161.83 28.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.666 ' CG1' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -142.7 110.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -110.62 102.31 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -103.09 139.36 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -109.78 165.21 13.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.2 Cg_endo -75.02 -43.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.15 21.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.908 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -117.32 162.03 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.661 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.02 57.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.666 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -112.23 124.47 68.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.989 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.85 100.21 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.519 ' SG ' HG23 ' A' ' 55' ' ' VAL . 5.0 t -70.11 140.16 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 134.35 -100.07 0.36 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 11.5 t70 -128.42 164.25 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.851 ' HB3' HD21 ' A' ' 50' ' ' LEU . 1.7 t80 -122.65 99.71 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.751 ' CG ' ' O ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 174.61 68.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.06 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 1.037 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.99 167.82 20.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.918 ' O ' HG23 ' A' ' 97' ' ' ILE . 2.4 m -113.98 86.76 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.856 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -50.32 -14.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 40.1 ttt180 -83.11 -43.18 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -74.46 -23.01 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.991 HD13 HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -92.8 -36.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.733 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -76.64 -68.02 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.71 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 6.3 p80 53.06 -72.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.772 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 14.6 p -141.14 137.24 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.059 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 144.53 -111.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.108 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -164.68 -175.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -159.53 125.15 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.863 ' CE2' HD13 ' A' ' 137' ' ' ILE . 46.0 t80 -103.85 126.86 51.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.626 ' CB ' HD12 ' A' ' 136' ' ' LEU . 29.0 t0 -113.55 145.81 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 171.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -53.04 100.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.438 ' HB3' ' NH2' ' A' ' 117' ' ' ARG . . . -130.28 -49.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.907 ' HE2' HD21 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -59.82 -34.99 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.723 HG21 ' HB ' ' A' ' 138' ' ' THR . 0.2 OUTLIER -62.58 -14.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.12 -40.46 10.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 1.009 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.9 mp -88.65 162.07 40.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.612 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -74.98 -153.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.446 ' HB1' ' HE1' ' A' ' 157' ' ' TRP . . . -85.24 -68.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 0.9 OUTLIER -40.32 -55.17 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . 1.009 ' HG2' HD23 ' A' ' 112' ' ' LEU . 1.3 tpt -51.34 -58.97 4.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 1.04 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -53.48 -32.88 52.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -61.42 -53.56 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -68.97 -20.88 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.465 ' OH ' HD21 ' A' ' 28' ' ' LEU . 6.3 t80 -76.94 -48.43 18.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 1.04 HG13 ' O ' ' A' ' 117' ' ' ARG . 2.6 m -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 10.7 pt20 -61.84 -50.34 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.546 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 1.8 m-70 -59.89 -36.35 76.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.719 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -66.33 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -50.33 -24.72 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -81.47 7.2 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.719 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.2 mmt -76.1 176.62 3.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.71 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -102.42 -45.17 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.72 97.57 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -149.87 152.01 34.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.797 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -97.11 108.62 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.534 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -86.76 151.5 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.901 HD13 HG22 ' A' ' 197' ' ' VAL . 54.1 tp -158.2 110.87 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.783 ' HB3' ' CE2' ' A' ' 196' ' ' TYR . 0.8 OUTLIER -100.75 147.23 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.863 HD13 ' CE2' ' A' ' 104' ' ' TYR . 2.5 mp -123.73 106.07 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.738 ' CG2' HD21 ' A' ' 136' ' ' LEU . 32.2 p -110.08 172.62 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -140.13 172.89 12.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 4.9 tt0 -126.35 -76.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.4 OUTLIER -23.13 -77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.792 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -28.27 146.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 2.4 pp0? 160.74 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.2 45.28 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.981 HD21 ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 175.86 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.241 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.92 153.45 21.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.53 ' H ' HD23 ' A' ' 146' ' ' LEU . 10.4 pt-20 -57.16 110.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 68.29 148.11 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -74.9 109.8 2.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.58 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.4 Cg_endo -75.01 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.559 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.4 t80 -92.39 81.78 4.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.0 OUTLIER -25.6 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 109' ' ' MET . 9.3 p -70.86 125.96 92.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.595 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.0 Cg_endo -75.03 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -40.57 -32.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.595 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.1 t -56.09 -34.93 66.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.669 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 58.8 t90 -64.54 -58.83 5.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.907 HD21 ' HE2' ' A' ' 109' ' ' MET . 1.4 mt -52.35 -28.03 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.713 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.9 t-80 -83.99 -22.25 31.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.638 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.6 OUTLIER -83.72 -33.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.687 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.31 -62.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.736 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.62 5.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.713 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 33.1 t -97.71 91.56 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 159.27 54.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.746 ' O ' HG22 ' A' ' 201' ' ' VAL . 7.1 m-20 152.31 -21.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 130.01 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 108.011 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.5 mt-10 -82.27 90.1 6.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.581 ' HA ' ' O ' ' A' ' 197' ' ' VAL . 1.7 m -69.95 157.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.5 OUTLIER -157.42 139.05 13.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.656 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.8 OUTLIER -71.63 149.87 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.965 HG11 HG23 ' A' ' 197' ' ' VAL . 0.2 OUTLIER -171.19 169.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 86.21 -151.95 25.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 166.21 -174.05 41.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 1.9 pt20 -101.86 163.51 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 9.2 t0 84.21 -9.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 176' ' ' THR . 9.0 t -107.24 74.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 1.056 HD22 ' O ' ' A' ' 177' ' ' LEU . 0.0 OUTLIER -90.95 -19.52 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -77.47 14.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 177' ' ' LEU . 11.0 t -99.98 -19.87 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' SER . . . . . 0.432 ' HB2' ' OE1' ' A' ' 193' ' ' GLU . 43.7 t -118.7 160.58 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -92.74 -32.38 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -46.37 -24.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.966 ' HA3' HD21 ' A' ' 177' ' ' LEU . . . -71.93 -49.8 21.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.458 ' H ' HD22 ' A' ' 184' ' ' LEU . 1.3 mm? -72.24 -15.67 61.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -57.79 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.712 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -74.72 -40.55 61.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 101.41 68.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.981 ' HG ' HD21 ' A' ' 145' ' ' LEU . 3.8 mp -110.22 -41.67 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 4.8 pt-20 50.42 24.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 168.34 108.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.66 ' CE ' HD23 ' A' ' 177' ' ' LEU . 1.1 ptt? -172.17 144.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.3 m-20 -66.85 134.71 52.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 173' ' ' GLY . 2.1 tt0 -124.77 115.24 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.1 OUTLIER -103.09 122.62 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.698 HG22 HG13 ' A' ' 137' ' ' ILE . 57.8 t -114.38 149.9 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 1.215 ' CE1' HD22 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -147.87 118.2 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.965 HG23 HG11 ' A' ' 171' ' ' VAL . 1.4 t -82.54 167.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 1.215 HD22 ' CE1' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -163.13 110.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -76.25 100.35 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.6 101.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' GLN . 2.7 m80 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' HIS . 6.1 mp0 -37.83 -73.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -140.68 84.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG11 ' CD1' ' A' ' 37' ' ' TRP . 1.5 p -131.74 143.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.556 ' HA ' ' CB ' ' A' ' 179' ' ' SER . 4.7 m120 -33.84 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -42.81 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -41.63 97.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.751 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.6 tm? -56.29 -65.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 14' ' ' SER . 3.9 pp0? -57.82 -28.3 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.27 -80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.482 ' CE1' HG11 ' A' ' 197' ' ' VAL . 40.2 m-85 -44.16 -47.12 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 1.034 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.9 t-105 -58.28 -55.39 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.0 t -46.7 -34.81 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -85.05 -49.46 8.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.13 -52.64 5.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.39 37.96 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.595 HG13 ' CE2' ' A' ' 43' ' ' TYR . 1.1 p -51.94 150.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.817 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 7.8 p -34.83 142.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -2.95 18.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.002 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -43.63 156.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.923 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 4.2 mmt85 -80.89 119.15 23.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.755 HG21 ' HG ' ' A' ' 38' ' ' LEU . 41.5 t -102.03 94.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.825 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.9 tm? -79.35 139.62 37.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.805 HG12 ' HB3' ' A' ' 104' ' ' TYR . 33.7 m -148.14 101.76 3.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.986 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 137.92 22.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.34 54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -80.4 -35.29 35.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 69.39 57.97 6.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 35.21 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 m -118.32 169.06 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 4' ' ' GLU . 3.0 mt-30 -55.59 -30.2 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.36 -55.7 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.607 ' SD ' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -62.27 -48.73 78.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.7 m -54.12 -38.58 65.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 78.9 t90 -66.98 -43.51 82.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.755 ' HG ' HG21 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -57.69 -45.8 85.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -61.98 -39.27 91.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.09 74.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 18.8 mm-40 -81.02 -37.8 28.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.86 66.21 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.5 m-85 -132.26 170.97 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.48 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -83.63 78.52 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.951 HG12 HD11 ' A' ' 82' ' ' ILE . 85.0 t -67.98 113.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.781 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.3 p -137.47 133.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.724 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -173.32 -172.75 39.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.965 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -143.68 167.26 22.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CD ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -126.13 125.82 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.864 HD23 HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -88.41 66.12 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.665 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 11.0 m -152.02 134.4 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -89.08 -62.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.95 -27.24 12.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -65.91 -48.67 70.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -60.17 -40.9 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.64 -43.97 95.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.566 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -61.09 -35.86 78.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 110.342 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.566 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.1 -39.82 75.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 3.1 m-30 -71.38 -26.44 62.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -36.13 24.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.12 -42.17 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -84.33 -35.85 22.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.0 38.62 18.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 18.1 mt-10 74.7 153.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 161.79 -49.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.616 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.02 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.22 110.0 22.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.603 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.631 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.0 mm -93.91 132.39 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -131.67 156.5 45.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.9 p -103.84 138.06 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -147.01 87.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.32 -118.22 11.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -95.54 23.15 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.684 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 95.9 m-85 -139.82 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.692 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -124.86 175.88 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.773 HG13 ' HB2' ' A' ' 85' ' ' TRP . 70.1 t -142.81 97.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.699 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -105.26 101.1 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -104.18 141.46 36.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -109.38 162.05 21.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.439 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.1 Cg_endo -75.0 -38.46 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.42 -54.37 32.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.951 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -118.46 158.39 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.641 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.58 48.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.698 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.22 121.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.965 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -109.54 107.99 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' A' ' 55' ' ' VAL . 1.7 t -73.92 144.13 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 127.3 -99.98 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.684 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 7.3 p-10 -125.37 163.39 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.756 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -121.71 176.63 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER 79.6 54.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.68 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -139.76 16.52 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.947 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 35.74 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.848 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -61.38 -11.16 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.947 ' HG2' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -81.59 -41.15 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -76.55 -40.15 50.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.979 HD13 ' O ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -79.03 -37.13 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 23' ' ' ARG . . . -72.77 -67.98 1.7 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.609 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 7.2 t-160 67.13 -69.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.75 . . . . 0.0 109.604 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 29.7 p -154.98 148.64 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 1.002 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.8 -106.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 1.034 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -163.99 163.99 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.604 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -143.82 116.23 8.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.805 ' HB3' HG12 ' A' ' 26' ' ' VAL . 22.0 t80 -94.25 131.61 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.604 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 37.5 t0 -120.41 128.47 53.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -101.64 170.14 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.88 ' HB2' HD21 ' A' ' 139' ' ' LEU . . . -41.29 101.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -146.63 -51.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.623 ' SD ' ' CD1' ' A' ' 120' ' ' TYR . 2.0 mmt -64.56 -35.39 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.866 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -64.23 -12.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -77.38 -52.92 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.632 ' H ' HD12 ' A' ' 112' ' ' LEU . 0.0 OUTLIER -78.45 166.7 41.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.0 -66.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -39.99 -63.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 1.1 tpt -51.6 -46.55 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 1.004 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -52.68 -45.42 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.722 ' HG2' HG21 ' A' ' 161' ' ' VAL . 4.7 mt-10 -62.09 -56.3 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HG2' ' HE2' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.68 -23.05 26.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.623 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 1.3 t80 -80.39 -53.37 6.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 1.004 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -59.58 -38.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.567 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -69.21 -52.07 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.598 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 0.5 OUTLIER -54.45 -42.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.695 HD22 ' HG2' ' A' ' 128' ' ' MET . 0.2 OUTLIER -59.91 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.771 ' OE2' ' CG ' ' A' ' 166' ' ' TRP . 3.9 mt-10 -54.02 -19.47 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -73.08 -51.37 18.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -90.85 5.0 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.695 ' HG2' HD22 ' A' ' 124' ' ' LEU . 7.3 mmt -71.62 173.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -45.91 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.706 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.8 103.0 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.61 ' HB2' ' C ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -154.04 168.9 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.547 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -113.7 110.3 19.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -83.65 153.09 29.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 195' ' ' VAL . 0.3 OUTLIER -145.78 99.05 3.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.484 ' CD2' ' CG ' ' A' ' 105' ' ' ASP . 0.2 OUTLIER -87.36 147.5 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.767 HG13 HG22 ' A' ' 195' ' ' VAL . 3.4 mp -132.64 109.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.891 ' C ' HD23 ' A' ' 139' ' ' LEU . 24.4 p -115.67 178.32 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.907 HD12 ' CG ' ' A' ' 142' ' ' ASP . 0.1 OUTLIER -150.63 173.72 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -135.01 -80.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.557 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -22.95 -69.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.907 ' CG ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -32.93 147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 176.51 -33.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.482 ' C ' HD12 ' A' ' 145' ' ' LEU . . . -129.04 60.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.897 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 170.47 -21.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.694 ' HB2' HD21 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -99.61 126.01 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.654 ' N ' HD12 ' A' ' 146' ' ' LEU . 25.7 mt-10 -45.39 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 88.26 140.66 7.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.44 3.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.539 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.01 135.94 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.413 1.744 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.509 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.8 t80 -105.61 88.33 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.9 OUTLIER -30.2 117.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.866 ' CG2' HG22 ' A' ' 110' ' ' ILE . 1.7 t -104.12 117.87 58.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.1 Cg_endo -75.08 122.4 7.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 3.0 mp0 -40.85 -26.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -62.19 -45.13 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.688 ' CZ2' HG11 ' A' ' 161' ' ' VAL . 33.4 t90 -63.82 -51.94 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.777 HD23 HG11 ' A' ' 168' ' ' VAL . 0.3 OUTLIER -54.94 -31.67 60.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.61 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.2 t60 -85.13 -17.89 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.71 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -82.58 -37.34 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.722 HG21 ' HG2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -113.98 -59.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.711 ' HE1' ' CH2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.9 6.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 161' ' ' VAL . 24.6 t -104.97 100.47 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.645 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 163.28 54.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 27.4 m-20 143.91 -18.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CG ' ' OE2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -145.72 127.4 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLU . . . . . 0.768 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.8 mt-10 -89.56 97.99 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 198' ' ' LEU . 47.5 t -76.2 139.01 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.868 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -125.4 142.63 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.573 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -65.7 141.71 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.592 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -171.41 169.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.592 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.34 -162.05 16.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -172.27 -166.27 30.63 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.4 pt20 -118.29 148.56 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ASP . . . . . 0.45 ' HA ' ' N ' ' A' ' 191' ' ' MET . 3.6 m-20 70.28 7.73 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.828 ' O ' HG23 ' A' ' 176' ' ' THR . 5.5 t -117.08 74.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.861 HD23 ' HG3' ' A' ' 191' ' ' MET . 3.9 pp -91.2 -22.88 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.554 ' N ' HD12 ' A' ' 177' ' ' LEU . 11.0 p-80 -41.47 -26.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.547 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.556 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 17.3 m -59.28 -55.43 34.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 96.0 p -86.61 159.55 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -85.72 -50.08 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.401 ' HD3' HD11 ' A' ' 146' ' ' LEU . 1.0 OUTLIER -37.89 -31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 188' ' ' LEU . . . -60.39 -55.46 29.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.652 ' H ' HD22 ' A' ' 184' ' ' LEU . 1.3 mm? -71.53 -18.45 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.97 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 0.889 ' HB1' ' O ' ' A' ' 145' ' ' LEU . . . -96.71 -40.0 9.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 86.08 76.5 1.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.4 OUTLIER -111.69 1.91 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 189' ' ' GLU . 0.7 OUTLIER 33.3 66.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.682 ' H ' HD21 ' A' ' 177' ' ' LEU . 40.8 mtt180 80.75 123.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.861 ' HG3' HD23 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -160.61 155.17 23.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.475 ' HB2' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -50.75 104.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.64 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.4 OUTLIER -122.78 109.63 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 138' ' ' THR . 1.6 m80 -92.05 157.97 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 0.767 HG22 HG13 ' A' ' 137' ' ' ILE . 20.1 t -147.72 155.07 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.643 ' HA ' ' O ' ' A' ' 169' ' ' THR . 5.5 m-85 -147.17 116.2 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.868 HG12 HG22 ' A' ' 169' ' ' THR . 7.7 p -94.3 107.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.952 ' HB3' HG22 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -99.86 152.69 19.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.2 mt-10 -112.56 100.41 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.231 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.595 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -66.1 93.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 165' ' ' ASN . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.422 ' C ' ' OE1' ' A' ' 2' ' ' GLN . 78.5 m-70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.837 ' O ' HG12 ' A' ' 5' ' ' VAL . 13.4 pm0 -179.83 -30.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 2' ' ' GLN . 1.2 m -37.69 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -140.42 84.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.837 HG12 ' O ' ' A' ' 2' ' ' GLN . 1.7 p -131.73 78.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.541 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 33.05 95.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -39.38 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.815 ' OD2' HG21 ' A' ' 195' ' ' VAL . 3.1 p30 -65.07 -34.22 77.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.682 HD13 ' C ' ' A' ' 9' ' ' LEU . 2.4 tm? -67.5 -65.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -55.95 -28.08 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 18.5 tp60 -65.17 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' LEU . 21.7 m-85 -46.13 -54.77 8.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.793 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t-105 -47.79 -50.56 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 30.3 t -61.23 -30.84 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -96.9 11.09 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 12' ' ' TYR . 6.2 mt -106.87 -58.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.88 36.15 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' VAL . 57.4 t -46.79 148.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.0 p -36.41 145.51 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.797 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.6 -1.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.983 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -44.16 155.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.974 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 4.7 mmt85 -79.82 114.85 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.772 HG11 ' CD2' ' A' ' 38' ' ' LEU . 32.5 t -107.85 114.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.815 HD22 ' CE ' ' A' ' 128' ' ' MET . 6.9 tp -86.35 152.99 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 ' HB2' ' A' ' 29' ' ' CYS . 41.2 t -137.69 83.95 23.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.667 ' CD ' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.02 115.28 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD22 ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 37.36 29.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB2' HG13 ' A' ' 26' ' ' VAL . 62.0 m -104.3 -25.71 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -24.42 90.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 29' ' ' CYS . 5.5 ttmt -108.32 -96.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' SER . 26.0 p -173.24 -55.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 12.0 mm-40 -72.45 -35.19 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.4 -58.01 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.497 ' HB2' HG11 ' A' ' 45' ' ' VAL . 11.5 ptm -69.93 -49.78 48.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' SER . 58.0 m -50.14 -31.49 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.579 ' HD1' HG11 ' A' ' 5' ' ' VAL . 9.2 t90 -76.94 -52.51 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.049 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.772 ' CD2' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.4 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -57.65 -45.77 85.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.951 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.11 -23.43 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -92.82 -21.92 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 107.19 50.64 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -118.53 164.32 15.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -91.32 84.58 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.742 HG12 HD11 ' A' ' 82' ' ' ILE . 25.4 t -74.7 109.52 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.966 HG23 ' HB3' ' A' ' 83' ' ' GLU . 6.5 p -138.51 98.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.705 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -146.25 -172.61 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.976 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.66 168.64 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.644 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -124.88 91.45 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -61.31 65.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.3 m -151.93 133.39 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 4.2 mp0 -98.37 -43.08 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.55 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.1 t -59.61 -55.2 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' N ' HG12 ' A' ' 55' ' ' VAL . 59.4 mm-40 -62.97 -44.78 95.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 5.7 tpt180 -59.75 -30.46 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.4 m-30 -71.87 -49.74 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.0 m-30 -62.14 -30.6 71.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.12 -26.56 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.5 mm-40 -77.73 -33.76 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -96.81 -31.83 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.09 47.26 67.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -122.49 -42.57 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.1 76.25 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.741 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.1 Cg_endo -75.01 -154.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -62.75 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.641 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 77' ' ' TYR . 23.9 mm -87.54 133.21 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.56 HG22 ' CG2' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -135.08 170.5 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 69' ' ' THR . 90.2 p -121.57 120.17 34.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 1.4 mm-40 -120.95 104.99 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' ASP . . . 42.06 58.33 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 12.1 t0 88.84 -47.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.61 174.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -118.45 172.48 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 85' ' ' TRP . 87.8 t -142.31 106.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.741 ' CE2' ' CG ' ' A' ' 66' ' ' PRO . 7.7 t80 -99.96 101.11 12.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -112.3 120.08 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.26 155.88 38.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.17 0.74 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.883 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -106.12 152.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.966 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.94 51.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.883 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -108.45 112.15 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TRP . . . . . 0.976 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.01 98.4 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -72.27 119.68 16.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.365 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 74' ' ' PHE . . . 150.09 -101.55 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.633 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -103.59 163.63 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 1.4 t80 -144.01 88.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 164.46 41.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.55 -33.51 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.794 ' CD2' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -92.51 -161.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.6 m -130.23 94.24 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.999 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -55.94 -12.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -78.92 -43.71 24.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -75.0 -44.18 49.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.794 HD13 ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -74.56 -30.06 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -77.33 -74.51 0.98 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.749 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 62.91 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 9.0 t -152.14 142.85 22.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.983 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 149.38 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.1 166.56 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.692 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -150.94 118.91 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . 0.667 ' O ' ' CD ' ' A' ' 27' ' ' PRO . 6.1 t80 -84.87 169.19 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.545 ' HB3' HD23 ' A' ' 136' ' ' LEU . 9.8 t0 -161.43 137.68 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -108.77 170.59 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.487 ' C ' HD12 ' A' ' 110' ' ' ILE . . . -59.78 95.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.67 -46.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.467 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.56 -22.28 66.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -71.64 -11.56 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 -55.09 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.1 OUTLIER -66.44 166.6 16.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.02 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -63.07 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.9 t0 -39.29 -55.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 34.4 tpp -59.68 -44.39 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.827 ' O ' HG13 ' A' ' 121' ' ' VAL . 44.2 mtp180 -54.01 -43.89 70.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 2.6 mt-10 -65.0 -43.25 93.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.563 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 3.0 mmt180 -67.21 -26.13 66.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -75.62 -59.76 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.9 m -55.76 -45.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.6 pt20 -62.5 -47.13 85.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 5.8 m-70 -58.54 -38.09 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.724 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.21 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 2.1 pp20? -50.52 -22.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.19 -57.89 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -81.46 3.28 25.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.815 ' CE ' HD22 ' A' ' 25' ' ' LEU . 4.4 mmt -72.54 174.23 4.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.749 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 201' ' ' VAL . 6.2 tt0 -106.09 -41.57 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -140.15 98.59 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' CYS . . . . . 0.581 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -151.51 157.58 42.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.618 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -100.92 107.84 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.692 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -85.99 157.04 30.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.595 HD22 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -150.05 104.04 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.057 HD22 ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -101.49 135.9 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 1.057 ' N ' HD22 ' A' ' 136' ' ' LEU . 3.3 mm -114.35 134.31 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.956 ' O ' HD13 ' A' ' 139' ' ' LEU . 13.6 p -137.21 165.99 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.956 HD13 ' O ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -130.44 168.11 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 141' ' ' TYR . 15.3 tt0 -131.88 -91.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -25.45 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -30.63 145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 178.0 -31.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -117.97 52.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 142' ' ' ASP . 0.1 OUTLIER -87.47 126.46 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 146' ' ' LEU . 13.0 mt-10 -43.95 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.408 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 84.04 126.65 1.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.451 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 151.94 40.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 151' ' ' PHE . 24.9 t80 -99.25 19.2 15.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 21.6 p 40.01 75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.642 ' CG1' HG21 ' A' ' 138' ' ' THR . 11.1 p -63.44 117.47 34.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' PRO . . . . . 0.696 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.97 124.71 8.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -44.77 -38.43 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 156' ' ' THR . . . . . 0.696 HG22 ' HB2' ' A' ' 154' ' ' PRO . 11.6 t -53.66 -37.06 62.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TRP . . . . . 0.649 ' CE2' HG11 ' A' ' 161' ' ' VAL . 71.1 t90 -62.98 -59.88 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LEU . . . . . 0.818 HD22 ' HE2' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -52.03 -25.98 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.718 ' O ' ' CB ' ' A' ' 163' ' ' SER . 8.3 t60 -84.23 -23.61 30.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ARG . . . . . 0.603 ' CG ' HG12 ' A' ' 161' ' ' VAL . 1.4 ptp180 -84.32 -32.86 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' VAL . . . . . 0.695 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.04 -64.59 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.735 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -55.84 6.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.718 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 40.3 t -99.81 100.14 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.57 ' O ' ' ND2' ' A' ' 165' ' ' ASN . . . 151.68 53.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' A' ' 164' ' ' GLY . 4.3 m-80 153.34 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' TRP . . . . . 0.735 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.88 125.69 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.3 100.71 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.895 ' HB ' ' CE1' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -72.11 145.26 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.794 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -143.83 139.6 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.475 ' C ' HG12 ' A' ' 171' ' ' VAL . 13.2 ptmt -67.42 142.04 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' VAL . . . . . 0.65 HG22 ' CG1' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -169.47 171.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.36 -160.22 17.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -165.15 169.05 39.56 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pt20 -104.24 152.86 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 174' ' ' GLN . 0.5 OUTLIER 66.56 6.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 176' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 176' ' ' THR . 14.7 t -116.94 76.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' LEU . . . . . 0.655 HD21 ' H ' ' A' ' 190' ' ' ARG . 0.2 OUTLIER -82.27 -10.2 59.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 178' ' ' HIS . . . . . 0.426 ' N ' HD12 ' A' ' 177' ' ' LEU . 1.4 m80 -58.35 -25.24 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.442 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.1 m -56.51 -19.34 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 3.6 m -132.31 162.04 32.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -81.79 -32.21 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 182' ' ' ARG . 4.2 ptp180 -48.19 -33.12 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -55.33 -48.67 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.558 ' H ' HD22 ' A' ' 184' ' ' LEU . 0.7 OUTLIER -86.08 -14.92 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.83 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' ALA . . . . . 1.018 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -106.91 -40.06 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 90.11 70.5 1.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 1.018 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.1 OUTLIER -114.4 -33.2 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 189' ' ' GLU . . . . . 0.752 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 11.7 pt-20 44.68 62.43 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.752 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 126.56 97.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 191' ' ' MET . . . . . 0.753 ' HG3' HD22 ' A' ' 188' ' ' LEU . 15.1 mmt -151.79 155.24 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.0 OUTLIER -76.21 106.64 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.585 ' O ' ' O ' ' A' ' 173' ' ' GLY . 25.7 tt0 -107.85 107.25 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' HIS . . . . . 0.474 ' O ' ' OG1' ' A' ' 138' ' ' THR . 10.7 m-70 -97.76 121.96 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' VAL . . . . . 1.023 HG22 HG23 ' A' ' 137' ' ' ILE . 9.5 t -109.04 153.57 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' TYR . . . . . 0.906 ' CE1' ' HG ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -146.06 114.47 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 197' ' ' VAL . . . . . 0.794 HG12 HG22 ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.25 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.906 ' HG ' ' CE1' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -119.44 100.28 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -75.84 98.18 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ARG . . . . . 0.581 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.04 104.85 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 201' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 165' ' ' ASN . 31.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.26 84.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.3 p -131.66 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.759 ' ND2' HD12 ' A' ' 137' ' ' ILE . 3.9 m120 34.32 95.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -43.05 -40.79 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.612 ' OD2' HG21 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -63.26 -48.84 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.752 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.6 tm? -51.47 -64.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' SER . 4.4 pp0? -57.73 -26.59 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -73.3 -74.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.635 ' CD2' HG21 ' A' ' 197' ' ' VAL . 17.0 m-85 -43.86 -51.45 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CD1' HD22 ' A' ' 9' ' ' LEU . 13.1 m95 -58.25 -55.82 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.6 t -43.04 -34.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -89.05 -55.93 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -37.97 -63.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 51.9 t30 70.99 47.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 19' ' ' VAL . 69.8 t -48.3 167.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.147 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 10.9 p -58.98 143.41 83.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.566 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.07 96.68 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 0.46 13.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.147 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . . . -52.37 156.92 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.956 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 13.1 mmt85 -80.74 114.0 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.011 HG11 ' HG ' ' A' ' 38' ' ' LEU . 39.4 t -104.2 112.89 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.625 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 1.3 tp -90.59 150.84 21.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.987 HG22 ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -132.76 81.07 59.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 1.059 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.97 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.059 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 30.83 38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.987 ' SG ' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -115.64 -21.84 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -28.73 106.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -118.25 -79.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 164.53 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.99 -45.86 63.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.583 ' OD1' ' CG ' ' A' ' 104' ' ' TYR . 1.1 t70 -54.43 -58.64 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 36' ' ' SER . 2.4 ppp? -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 32' ' ' SER . 30.1 m -54.73 -28.15 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 13' ' ' TRP . 49.6 t90 -75.72 -57.0 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.011 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -47.63 -54.21 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -57.61 -50.63 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.35 -21.79 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -91.47 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 65.03 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE2' ' HZ3' ' A' ' 13' ' ' TRP . 11.1 m-85 -133.93 163.57 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.92 85.25 6.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.075 HG12 HD11 ' A' ' 82' ' ' ILE . 88.4 t -80.97 103.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 97' ' ' ILE . 1.2 p -134.87 112.6 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -155.62 -172.81 23.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.995 ' HB3' ' HB2' ' A' ' 89' ' ' PHE . . . -128.99 159.21 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.846 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.84 95.97 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.634 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.04 64.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.793 ' O ' HG13 ' A' ' 55' ' ' VAL . 47.0 t -152.85 107.16 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -70.42 -59.67 2.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.93 -33.32 17.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.668 ' HB2' ' OG ' ' A' ' 51' ' ' SER . . . -62.52 -58.35 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.793 HG13 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -47.59 -42.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 13.5 mt-10 -60.89 -44.01 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -60.96 -33.29 72.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 m-30 -75.19 -34.22 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 5.0 m-30 -75.7 -25.5 56.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -34.55 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.31 -39.93 59.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -90.5 -34.48 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.7 38.63 23.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.964 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.9 mt-10 75.64 151.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 161.89 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.96 -175.69 2.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.27 101.1 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.579 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 18.9 mm -95.37 126.0 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.496 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.31 150.13 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.5 p -106.72 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.54 85.32 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.38 -111.81 4.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.43 -7.59 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 5.5 m-85 -108.55 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.677 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 4.5 mttt -125.33 170.94 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 85' ' ' TRP . 91.4 t -143.47 96.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -105.75 100.97 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -100.08 150.46 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -117.01 159.48 40.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.05 12.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.7 -54.24 5.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.075 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -121.04 165.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.562 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -100.55 49.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.846 HD12 ' OE1' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -105.98 117.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.948 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.63 104.53 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -68.25 130.93 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.677 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 141.55 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.607 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -118.83 163.95 16.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.995 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -128.93 105.91 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER 176.2 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 179.16 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.36 -1.17 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.975 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 44.62 82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 1.05 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -57.46 -12.64 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.975 ' HG2' HG22 ' A' ' 93' ' ' THR . 20.7 ptt180 -80.02 -47.91 14.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 52.2 m-20 -63.82 -49.03 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -71.77 -43.17 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -55.34 -77.24 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.708 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.53 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.763 . . . . 0.0 109.564 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.78 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.3 p -146.64 136.76 23.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.956 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 148.42 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.983 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -176.5 179.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.789 ' CE1' ' HA3' ' A' ' 134' ' ' GLY . 3.1 p90 -162.42 132.7 4.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.69 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 23.7 t80 -92.08 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t0 -101.26 129.23 47.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.486 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 15.8 ttm180 -103.26 148.54 25.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -41.62 104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -130.68 -48.29 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.879 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -65.51 -25.55 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.804 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -69.26 -18.12 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.19 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.525 HD21 ' O ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -108.35 174.31 2.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.0 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -71.95 -64.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 m-20 -39.55 -60.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 21.3 tpp -55.93 -37.93 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.833 ' O ' HG13 ' A' ' 121' ' ' VAL . 5.1 mtp180 -59.33 -47.3 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.646 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.1 mt-10 -63.06 -39.96 96.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 1.8 mmt180 -70.47 -25.87 63.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.793 ' OH ' HD21 ' A' ' 28' ' ' LEU . 8.7 t80 -75.98 -56.34 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.833 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -57.49 -44.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 9.0 pt20 -63.99 -45.77 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 0.9 OUTLIER -60.0 -37.67 80.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.743 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.18 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.524 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -51.68 -22.13 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.66 -51.18 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -86.54 -0.92 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.743 ' CG ' HD13 ' A' ' 124' ' ' LEU . 4.6 mmt -65.66 173.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.708 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.0 Cg_endo -75.05 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 201' ' ' VAL . 42.5 mm-40 -109.23 -39.12 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.689 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -144.38 91.7 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -148.53 154.8 40.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.983 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -99.47 109.94 22.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.789 ' HA3' ' CE1' ' A' ' 103' ' ' PHE . . . -98.17 141.94 15.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.484 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -129.51 113.98 15.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.879 HD11 ' HE1' ' A' ' 109' ' ' MET . 0.6 OUTLIER -91.61 139.82 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.781 ' CD1' HG22 ' A' ' 195' ' ' VAL . 45.4 mm -122.78 101.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 24.8 p -105.37 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.53 ' CD1' ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -146.7 169.06 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 tm-20 -127.64 -78.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 3.2 m-85 -27.92 -85.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.712 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -27.02 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 1.2 pp0? 174.56 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -124.99 47.91 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.972 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -179.89 -31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.891 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -87.56 152.99 21.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.696 ' H ' HD23 ' A' ' 146' ' ' LEU . 22.1 mt-10 -63.62 102.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.18 1.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.3 Cg_endo -75.03 114.36 4.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.421 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 138.71 23.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.484 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -87.62 23.03 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.1 p 32.62 47.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 152' ' ' SER . 6.3 p -35.2 121.49 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.528 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.01 132.45 15.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 7.4 tm0? -50.06 -38.43 38.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -56.78 -44.23 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.722 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 27.5 t90 -63.32 -45.81 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.632 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -57.35 -41.16 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.3 t-80 -76.97 -17.32 58.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.753 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.82 -37.38 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.753 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.19 -58.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.65 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.65 6.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.661 ' H ' ' C ' ' A' ' 161' ' ' VAL . 30.1 t -104.34 103.47 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.44 55.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.645 ' O ' HG22 ' A' ' 201' ' ' VAL . 1.1 m120 151.31 -21.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.65 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.71 133.62 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 107.968 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -81.1 93.96 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 198' ' ' LEU . 5.5 m -84.02 135.31 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.662 ' CG2' HG12 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -134.6 142.87 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.452 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -68.45 137.75 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -165.47 166.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.54 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 90.67 -160.46 27.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 168.9 -160.93 34.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 4.3 pt20 -111.92 -173.92 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 t70 71.09 11.64 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.482 ' OG1' ' CB ' ' A' ' 179' ' ' SER . 1.4 t -115.4 74.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.783 HD13 ' O ' ' A' ' 177' ' ' LEU . 1.4 tm? -86.82 -39.48 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -63.43 -44.22 95.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.482 ' CB ' ' OG1' ' A' ' 176' ' ' THR . 0.9 OUTLIER -54.42 -68.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.965 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 120.12 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 184' ' ' LEU . . . -69.37 -48.8 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -45.77 -26.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.979 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -68.21 -39.67 88.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.45 HD23 HD11 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -85.89 -15.28 42.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -49.82 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.574 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -83.93 -38.32 21.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 100.52 67.24 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.979 HD23 ' HA2' ' A' ' 183' ' ' GLY . 2.4 mm? -89.3 -33.49 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.6 pt-20 51.07 20.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.6 OUTLIER 148.47 100.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.594 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 4.6 ptt? -152.19 150.19 29.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 16.4 t0 -81.96 123.01 28.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' A' ' 173' ' ' GLY . 42.6 tt0 -110.22 114.67 28.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -92.11 151.08 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.781 HG22 ' CD1' ' A' ' 137' ' ' ILE . 41.0 t -140.43 150.26 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 20.8 m-85 -145.04 119.24 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.662 HG12 ' CG2' ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.78 111.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.826 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -112.45 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -87.61 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.537 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -65.78 106.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 165' ' ' ASN . 30.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.44 84.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -131.67 78.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 5' ' ' VAL . 5.1 m120 34.07 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -44.81 -40.35 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -62.54 -45.48 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.706 HD23 ' CE1' ' A' ' 104' ' ' TYR . 2.9 tm? -56.67 -65.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.06 -23.56 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' SER . 13.6 tp60 -73.27 -81.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.489 ' CG ' HG21 ' A' ' 197' ' ' VAL . 45.1 m-85 -44.08 -37.53 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.796 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 2.0 t-105 -70.15 -41.67 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.3 m -57.38 -36.54 71.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -45.63 10.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mt -43.42 -51.24 6.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 49.4 t30 70.6 36.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 19' ' ' VAL . 56.1 t -41.92 130.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.041 HG13 ' HB2' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -34.87 144.46 0.21 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 96.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.18 10.9 10.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.041 ' HB2' HG13 ' A' ' 19' ' ' VAL . . . -61.9 157.79 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.878 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 15.4 mmt85 -82.12 117.36 22.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.892 HG23 ' HA ' ' A' ' 45' ' ' VAL . 19.6 m -105.35 111.14 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.075 HD23 HD11 ' A' ' 97' ' ' ILE . 1.5 tm? -97.14 138.28 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.578 ' N ' HD13 ' A' ' 25' ' ' LEU . 30.8 m -137.41 105.45 8.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.936 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 143.42 29.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 22.48 52.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' PRO . 50.7 t -138.41 33.34 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . -65.06 112.15 4.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER 87.97 110.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.93 161.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 181' ' ' ALA . 5.3 mp0 -58.8 -41.66 87.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -52.51 -57.97 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.841 ' HG2' HG11 ' A' ' 45' ' ' VAL . 2.0 tmm? -53.15 -60.08 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -49.29 -33.45 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.666 ' HB2' HG21 ' A' ' 5' ' ' VAL . 31.8 t90 -72.84 -36.38 67.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 24' ' ' VAL . 86.3 mt -67.12 -66.85 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -37.76 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -24.27 76.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -84.53 -38.72 19.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.12 64.15 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -136.22 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.461 ' O ' HG12 ' A' ' 46' ' ' VAL . 20.8 m-70 -93.76 80.13 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.059 HG12 HD11 ' A' ' 82' ' ' ILE . 81.2 t -70.62 110.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.983 HG22 HD12 ' A' ' 97' ' ' ILE . 1.5 p -141.32 104.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.762 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -142.0 -172.55 13.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.09 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -131.71 164.08 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' GLY . 2.6 tm-20 -125.39 128.81 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -96.34 72.5 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 68.4 m -152.27 131.36 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -98.37 -44.46 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.27 90.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.76 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.684 HG13 ' CE2' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -64.22 -56.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' HG12 ' A' ' 55' ' ' VAL . 7.2 mm-40 -60.19 -40.99 91.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -37.37 87.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -63.51 -46.15 87.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CE2' HG13 ' A' ' 55' ' ' VAL . 4.1 m-30 -68.03 -31.17 70.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -36.78 59.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.64 -43.25 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -75.75 -35.38 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.66 38.26 17.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.1 mt-10 69.91 151.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 159.9 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 179.29 6.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.29 107.14 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.472 ' CG2' ' HD3' ' A' ' 75' ' ' LYS . 18.4 mm -97.67 128.12 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.516 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -130.38 158.28 40.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -123.21 109.2 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 1.2 pp0? -103.17 105.48 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.57 -106.14 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.6 33.01 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 19.7 m-85 -144.11 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.526 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -126.16 160.68 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.818 HG23 ' CB ' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.73 107.85 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.667 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -104.02 101.72 11.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.69 149.05 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -120.25 159.19 48.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.68 16.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.96 -52.22 5.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.059 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -124.91 168.23 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.706 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -103.94 53.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.6 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -109.37 118.42 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.09 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.91 100.21 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.509 ' SG ' HG23 ' A' ' 55' ' ' VAL . 3.9 t -70.52 142.38 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.542 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 134.0 -99.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.646 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 12.6 t70 -129.69 163.84 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.607 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 7.6 t80 -119.47 102.93 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 165.09 52.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.33 -41.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.083 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.27 178.13 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.71 ' O ' HG23 ' A' ' 97' ' ' ILE . 51.8 m -122.64 85.51 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.84 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -51.96 -15.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.2 ttt85 -73.49 -48.53 32.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -46.23 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.075 HD11 HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.91 -47.03 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -59.74 -72.42 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.691 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 57.9 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.568 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.772 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 96.6 m -139.99 136.43 33.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.006 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.58 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.796 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -169.57 -176.67 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -162.3 128.43 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 137' ' ' ILE . 7.1 t80 -95.69 121.17 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 1.064 ' HB2' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -101.64 139.3 37.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 3.1 ttm180 -108.8 158.68 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.635 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -52.86 99.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.89 -52.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.467 ' HA ' ' HG ' ' A' ' 112' ' ' LEU . 14.6 ptp -63.79 -32.86 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.574 HG22 ' CG1' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -58.47 -15.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.14 -59.18 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.64 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.96 169.68 1.46 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.62 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.02 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -51.83 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' ALA . 8.1 t0 -38.59 -52.31 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.64 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 30.6 tpp -62.2 -41.37 98.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.921 ' O ' HG13 ' A' ' 121' ' ' VAL . 47.0 mtm180 -56.67 -42.33 78.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.9 mt-10 -66.25 -45.14 81.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -67.49 -22.78 65.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.641 ' OH ' HD11 ' A' ' 28' ' ' LEU . 34.6 t80 -76.48 -50.27 14.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -61.68 -46.04 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.497 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 2.5 pt20 -61.63 -48.91 78.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.495 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 11.5 m170 -57.21 -38.73 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.652 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -66.69 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.5 OUTLIER -52.05 -19.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -74.67 -59.21 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.84 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -85.17 9.51 14.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.671 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.1 mmt -75.69 175.44 4.17 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.691 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -74.97 -167.18 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -46.62 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.647 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.9 101.33 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -153.9 160.78 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.733 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.81 107.88 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -86.54 144.67 19.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.779 ' HG ' HG22 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -141.52 98.72 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.064 HD12 ' HB2' ' A' ' 105' ' ' ASP . 2.1 tp -84.81 140.0 31.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.752 HD11 ' CE1' ' A' ' 104' ' ' TYR . 3.9 mp -118.92 114.79 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.915 ' C ' HD22 ' A' ' 139' ' ' LEU . 36.9 p -117.07 170.86 8.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.915 HD22 ' C ' ' A' ' 138' ' ' THR . 0.5 OUTLIER -132.76 167.95 19.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.3 mt-10 -123.38 -94.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.593 ' O ' ' C ' ' A' ' 142' ' ' ASP . 0.4 OUTLIER -22.25 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.759 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -24.76 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 144' ' ' ALA . 1.6 pt20 178.35 -29.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.71 49.78 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.995 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.42 -30.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 1.007 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.3 OUTLIER -93.03 126.81 38.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 1.007 ' N ' HD12 ' A' ' 146' ' ' LEU . 21.6 mt-10 -42.51 107.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.76 118.3 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -74.95 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.437 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -88.23 25.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.9 p 31.07 44.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.635 ' CG1' HG21 ' A' ' 138' ' ' THR . 9.9 p -36.86 122.43 0.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.506 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.03 164.81 32.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 16.5 tm0? -77.89 -32.69 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 154' ' ' PRO . 6.2 t -63.41 -38.6 91.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.628 ' CE2' HG11 ' A' ' 161' ' ' VAL . 73.6 t90 -63.72 -52.96 58.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.807 HD13 ' CD2' ' A' ' 196' ' ' TYR . 2.4 mt -54.65 -35.43 63.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.657 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.5 t60 -78.09 -21.14 50.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -83.1 -34.32 26.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.676 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.55 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.852 ' SD ' HD13 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -57.7 6.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 22.9 t -104.0 100.75 10.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.591 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 165.96 45.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 201' ' ' VAL . 3.1 m-20 149.17 -15.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 128.17 15.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 42.3 mm-40 -84.13 94.01 8.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.847 HG11 ' HB3' ' A' ' 162' ' ' MET . 2.4 m -70.92 130.86 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.611 HG22 ' HB ' ' A' ' 197' ' ' VAL . 0.4 OUTLIER -120.96 149.38 42.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.405 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.927 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -165.0 171.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 110.63 -173.19 15.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.06 156.46 27.23 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 3.3 pm0 -103.83 166.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.74 21.34 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 176' ' ' THR . 15.4 t -107.67 74.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.5 tm? -65.5 -45.11 84.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 178' ' ' HIS . 2.6 p80 -76.91 61.92 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -161.08 -43.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.453 ' CB ' ' HE3' ' A' ' 191' ' ' MET . 43.9 t -90.33 126.16 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . . . -65.14 -45.97 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.414 ' HG2' ' NH2' ' A' ' 106' ' ' ARG . 5.1 mtp180 -53.33 -19.29 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.817 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -73.02 -42.03 45.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -86.01 -14.36 44.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -51.48 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.662 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -84.28 -34.83 23.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.3 64.47 0.98 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.995 HD13 HD21 ' A' ' 145' ' ' LEU . 2.5 mm? -81.7 -37.46 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 54.17 15.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.57 ' H ' HD23 ' A' ' 177' ' ' LEU . 1.7 mtt180 158.39 102.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.453 ' HE3' ' CB ' ' A' ' 180' ' ' SER . 2.0 ptt? -163.34 155.02 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.447 ' OD2' ' CD ' ' A' ' 140' ' ' GLU . 12.1 t0 -85.88 129.49 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 173' ' ' GLY . 22.4 tt0 -113.01 114.63 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.473 ' CE1' ' OE2' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -96.67 155.19 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 24.3 t -147.49 158.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.807 ' CD2' HD13 ' A' ' 158' ' ' LEU . 23.5 m-85 -145.12 130.07 18.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.927 HG23 HG11 ' A' ' 171' ' ' VAL . 55.9 t -99.37 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.852 HD13 ' SD ' ' A' ' 162' ' ' MET . 0.1 OUTLIER -100.58 106.53 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.9 tt0 -76.17 104.15 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -69.79 101.73 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 165' ' ' ASN . 26.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 10.5 pt-20 -140.49 84.63 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 6' ' ' ASN . 2.7 p -131.7 133.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' VAL . 38.2 t30 -33.44 108.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -46.71 -33.48 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' TYR . 2.6 m-20 -67.72 -53.12 30.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 9' ' ' LEU . 2.0 tm? -49.93 -63.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.06 -31.46 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 8.5 tt0 -75.29 -75.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ASP . 35.0 m-85 -43.44 -41.47 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.052 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.8 t-105 -70.29 -42.99 71.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.4 m -54.74 -30.1 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.82 -51.87 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -38.48 -51.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.7 t-20 65.31 53.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.627 HG12 ' CB ' ' A' ' 22' ' ' ALA . 73.1 t -59.71 142.83 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.973 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.43 151.25 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 104.03 -3.5 44.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.001 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -37.64 154.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.901 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.7 mmt85 -82.45 120.46 25.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG11 ' HG ' ' A' ' 38' ' ' LEU . 22.2 t -107.16 114.04 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.856 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 1.8 tm? -96.58 141.12 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 29' ' ' CYS . 5.8 t -136.37 100.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.691 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.2 Cg_endo -75.06 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.974 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 23.98 90.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 29.1 t -141.08 -35.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.06 -100.04 2.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 145.86 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -169.93 -178.41 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 41.1 mm-40 -55.73 -23.76 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 35' ' ' MET . 0.9 OUTLIER -60.07 -58.34 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.525 ' HB3' HG11 ' A' ' 45' ' ' VAL . 3.4 mtm -63.8 -45.02 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -26.13 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.415 ' CE3' HD13 ' A' ' 38' ' ' LEU . 37.8 t90 -75.98 -48.32 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -52.11 -56.39 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.03 -47.0 86.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.74 -20.72 3.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -98.78 -23.93 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 101.32 59.17 0.8 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 12.5 m-85 -129.85 166.91 19.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -79.03 94.01 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.775 HG12 HD11 ' A' ' 82' ' ' ILE . 61.1 t -79.9 97.09 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.96 HG11 HD12 ' A' ' 97' ' ' ILE . 1.4 t -114.98 132.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -160.27 163.94 34.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -129.03 153.03 47.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -117.77 116.64 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.684 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -90.44 69.1 6.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.859 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 60.7 p -151.96 135.93 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -97.75 -46.55 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.95 97.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.859 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -65.17 -33.11 75.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.588 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -63.49 -53.21 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 55' ' ' VAL . 2.9 mm-40 -61.0 -42.19 97.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -64.62 -35.33 80.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -65.9 -45.02 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.708 ' CE2' HG21 ' A' ' 68' ' ' ILE . 5.0 m-30 -69.11 -31.68 70.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -37.96 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.08 -43.3 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -75.41 -37.13 60.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.12 29.82 30.04 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.3 mt-10 76.03 151.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.91 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.554 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.98 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 111.16 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.708 HG21 ' CE2' ' A' ' 59' ' ' PHE . 2.6 mm -106.1 133.71 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.755 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -130.65 153.54 48.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -108.41 99.36 8.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 2.3 mm-40 -88.54 85.19 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.51 -98.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.58 30.83 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.363 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 10.7 m-85 -145.36 173.14 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.529 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 9.2 tttt -131.09 158.23 40.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.755 ' CG1' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -142.15 110.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -111.06 101.75 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -102.19 146.81 27.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -115.99 155.82 47.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.51 21.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.58 -52.4 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -123.08 172.06 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.597 ' N ' HD13 ' A' ' 82' ' ' ILE . 3.2 tt0 -104.6 51.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -109.42 128.47 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -113.49 106.78 14.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.548 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.9 t -74.38 145.13 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.568 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 129.32 -98.19 0.43 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -131.46 163.52 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -117.57 91.1 3.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER 179.48 56.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . 179.1 39.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -136.82 -30.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 1.0 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.8 OUTLIER 71.59 78.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.972 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -54.67 -18.06 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.94 -47.66 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 95' ' ' ARG . 12.7 t0 -60.3 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.96 HD12 HG11 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -68.61 -49.63 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -44.89 -74.02 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.763 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 26.1 t-80 52.28 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.753 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 71.2 m -138.49 135.47 35.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.001 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.12 -109.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.052 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -172.4 -172.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 2.5 p90 -166.11 143.35 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.638 ' HB3' HG22 ' A' ' 26' ' ' VAL . 26.2 t80 -106.73 119.19 38.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.42 ' CB ' ' HG ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -105.97 140.33 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 182' ' ' ARG . 8.3 tmm_? -110.07 170.46 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.662 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -60.95 101.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.09 -48.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.788 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -66.39 -22.5 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.662 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -70.78 -18.07 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.02 46.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.855 HD23 ' HG2' ' A' ' 116' ' ' MET . 4.1 mp -110.85 165.99 11.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 0.9 OUTLIER -39.93 -60.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.855 ' HG2' HD23 ' A' ' 112' ' ' LEU . 8.8 tpp -57.89 -44.57 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.711 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 8.9 mtp180 -52.29 -41.55 63.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.56 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.3 mt-10 -71.46 -37.05 71.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -69.79 -23.35 63.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.663 ' OH ' HD21 ' A' ' 28' ' ' LEU . 6.0 t80 -81.04 -53.52 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.692 HG21 HG22 ' A' ' 161' ' ' VAL . 7.9 m -62.27 -32.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.537 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.7 pt20 -76.04 -48.36 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 7.3 m-70 -58.25 -35.81 72.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.75 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.5 OUTLIER -69.76 -64.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -49.85 -22.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.42 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.972 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -81.53 3.12 26.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.75 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.9 mmt -71.15 174.45 3.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.763 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.02 -156.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.3 OUTLIER -117.96 -36.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.678 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.32 86.81 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 129' ' ' PRO . 10.5 m -151.59 145.13 24.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.778 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -92.12 123.37 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.714 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -101.25 142.95 15.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.483 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -130.1 100.06 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.878 HD12 ' HE1' ' A' ' 162' ' ' MET . 0.6 OUTLIER -86.34 136.35 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 136' ' ' LEU . 8.0 mm -123.9 110.19 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.454 HG23 HD22 ' A' ' 136' ' ' LEU . 11.8 p -110.52 178.47 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 1.018 HD21 ' CG ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -139.44 168.5 19.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -132.04 -85.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.507 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -28.89 -73.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 1.003 ' CG ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -35.04 142.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER 164.25 -25.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -111.93 36.86 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.942 HD21 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.56 -30.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -76.25 119.3 19.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.863 ' N ' HD12 ' A' ' 146' ' ' LEU . 20.4 mm-40 -39.63 107.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.512 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 89.03 128.49 3.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 1.018 ' CG ' HD21 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.99 149.95 37.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -101.9 23.0 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 151' ' ' PHE . 23.4 p 29.98 51.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 110' ' ' ILE . 9.8 p -34.94 123.19 0.57 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -74.97 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.494 ' HG3' ' CD2' ' A' ' 196' ' ' TYR . 1.5 mp0 -36.69 -48.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -47.38 -42.08 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.711 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.5 t90 -59.76 -46.02 90.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -55.49 -45.0 77.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' A' ' 163' ' ' SER . 70.4 t60 -73.35 -17.32 61.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -81.98 -38.33 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.701 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.18 -56.85 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.878 ' HE1' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.9 6.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 9.1 t -108.13 100.02 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 165' ' ' ASN . . . 159.94 47.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.671 ' OD1' ' CD1' ' A' ' 166' ' ' TRP . 7.1 p30 154.75 -18.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.741 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.56 125.0 13.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.0 mt-10 -75.61 91.64 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 198' ' ' LEU . 4.1 m -71.46 128.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.764 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -121.34 120.98 36.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.608 ' C ' HG12 ' A' ' 171' ' ' VAL . 19.9 mttt -57.11 143.83 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.764 HG12 ' O ' ' A' ' 169' ' ' THR . 0.2 OUTLIER -174.58 166.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 96.18 -157.0 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 165.82 -133.09 2.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 21.5 pt20 -131.03 175.68 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 4.5 m-20 78.34 0.59 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 176' ' ' THR . 12.5 t -116.47 74.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 1.011 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.64 -38.54 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.826 ' HA ' HD21 ' A' ' 184' ' ' LEU . 1.6 m-70 -57.55 -23.53 51.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -55.41 -61.4 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.2 p -76.02 149.6 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -85.84 -49.59 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 27.7 mmt-85 -39.8 -29.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.857 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -68.35 -63.91 3.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.826 HD21 ' HA ' ' A' ' 178' ' ' HIS . 2.4 mm? -56.01 -18.51 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -39.58 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.607 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . . . -82.93 -39.75 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 102.83 58.58 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.942 ' CD1' HD21 ' A' ' 145' ' ' LEU . 2.7 mm? -84.93 -52.66 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.462 ' C ' ' HG2' ' A' ' 190' ' ' ARG . 13.3 mm-40 67.98 5.02 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HG2' ' C ' ' A' ' 189' ' ' GLU . 5.9 ptm180 162.46 115.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.461 ' SD ' ' CG ' ' A' ' 142' ' ' ASP . 0.3 OUTLIER -166.47 155.19 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 m-20 -74.61 123.61 25.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 173' ' ' GLY . 18.6 tt0 -118.62 122.19 41.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -92.75 150.92 20.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.618 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 171' ' ' VAL . 44.4 t -138.56 149.28 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.766 ' O ' HD23 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -149.2 114.58 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.614 HG23 HG11 ' A' ' 171' ' ' VAL . 61.8 t -87.53 97.23 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.826 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -98.57 107.55 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.99 101.8 6.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.477 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -65.63 103.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 165' ' ' ASN . 34.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 3.5 pt-20 -140.13 84.8 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.903 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.8 p -131.52 78.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER 35.81 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 2.2 pptp? -44.22 -38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.475 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 7.1 m-20 -65.78 -54.73 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.7 tm? -46.75 -65.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.4 pt20 -56.3 -35.03 67.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 23.6 tt0 -68.0 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.809 ' CE2' HG21 ' A' ' 171' ' ' VAL . 64.4 m-85 -43.7 -54.65 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.012 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.3 t-105 -49.84 -59.03 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.033 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 10.8 t -43.99 -37.84 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.69 -47.31 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.515 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -41.43 -49.53 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 t30 55.35 60.51 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.0 p -79.95 153.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.999 HG13 ' HB2' ' A' ' 22' ' ' ALA . 3.3 p -33.54 142.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 109.36 -5.52 31.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.046 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -38.58 156.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.89 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 13.6 mmt85 -83.54 121.11 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.775 HG11 ' HG ' ' A' ' 38' ' ' LEU . 79.9 t -106.75 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 ' N ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -95.38 141.44 28.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.866 HG12 ' HB3' ' A' ' 104' ' ' TYR . 34.8 m -140.01 104.48 6.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.781 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 139.84 24.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.34 48.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -109.55 -31.44 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.59 ' C ' ' HE1' ' A' ' 35' ' ' MET . . . 65.32 -113.81 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' N ' ' HE1' ' A' ' 35' ' ' MET . 0.1 OUTLIER -129.65 150.81 50.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -174.77 -176.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -59.97 -45.08 93.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 5' ' ' VAL . 2.3 m-20 -50.68 -57.91 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.59 ' HE1' ' C ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -52.09 -52.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -58.21 -24.91 60.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.903 ' HB2' HG21 ' A' ' 5' ' ' VAL . 14.3 t90 -78.85 -32.53 46.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 108.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.775 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -71.03 -56.84 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -42.45 98.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.77 -27.47 61.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.622 ' NE2' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -83.52 -38.84 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.96 53.95 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.454 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 8.3 m-85 -124.98 166.95 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -84.8 86.53 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.615 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 82' ' ' ILE . 60.8 t -73.0 116.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.861 HG21 HG13 ' A' ' 97' ' ' ILE . 1.6 p -143.69 141.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.797 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -177.78 -174.83 44.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.023 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -131.14 162.39 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -124.09 127.49 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -95.77 70.11 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.683 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.43 132.91 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -98.46 -43.71 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.43 87.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -60.44 -35.11 75.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.88 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.8 t -62.76 -54.04 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -65.87 -33.18 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -69.9 -39.55 76.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.88 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.7 m-30 -72.14 -32.87 67.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -42.42 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.48 -48.07 79.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -76.21 -37.46 57.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 81.86 32.09 30.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.4 mt-10 82.6 151.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.21 -49.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.95 -169.39 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.61 111.05 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 7.3 mm -95.12 131.03 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -127.11 144.29 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -117.18 91.39 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.633 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -93.83 96.87 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.99 -110.77 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -109.5 12.51 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 22.0 m-30 -120.33 148.12 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.726 ' HD2' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -103.87 156.91 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.866 HG13 ' HB2' ' A' ' 85' ' ' TRP . 26.1 t -139.15 98.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.692 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.3 t80 -100.4 101.25 12.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.75 134.18 42.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.42 155.8 39.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.23 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.61 -56.44 0.72 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -107.87 159.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.625 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -102.3 49.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.626 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -100.95 120.13 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.023 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.62 103.29 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 108.044 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.53 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.1 t -73.69 140.79 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.24 -98.93 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.651 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -134.49 163.35 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.735 ' CZ ' HD21 ' A' ' 127' ' ' LEU . 13.2 t80 -113.22 107.73 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 164.29 42.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.633 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . . . -136.35 -42.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.095 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -80.91 -172.44 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.754 ' O ' HG22 ' A' ' 97' ' ' ILE . 2.7 m -142.79 93.7 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.877 ' HB3' ' CD1' ' A' ' 127' ' ' LEU . . . -49.08 -15.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.9 ttt180 -68.24 -55.96 10.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -69.11 -55.68 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.954 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.0 -57.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.694 ' N ' HD13 ' A' ' 97' ' ' ILE . . . -55.84 -73.31 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.631 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 59.25 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.575 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.769 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 18.0 t -143.23 134.81 26.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.046 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.58 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.012 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.4 -179.85 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -157.5 121.07 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.866 ' HB3' HG12 ' A' ' 26' ' ' VAL . 52.9 t80 -90.12 114.78 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.918 ' CB ' HD12 ' A' ' 136' ' ' LEU . 3.5 t0 -101.76 127.39 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -101.24 159.03 15.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.78 ' HB1' HD21 ' A' ' 139' ' ' LEU . . . -49.28 107.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -140.02 -56.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.82 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.81 -17.67 64.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -69.35 -17.54 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.493 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -83.13 -54.79 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.91 169.98 2.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.529 1.804 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 117' ' ' ARG . . . -76.07 -65.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 114' ' ' ALA . 4.0 m-20 -39.43 -62.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.515 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 5.8 tpt -52.67 -46.22 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.671 ' O ' HG13 ' A' ' 121' ' ' VAL . 1.9 mtp180 -51.2 -60.48 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.548 ' HG2' HG21 ' A' ' 161' ' ' VAL . 6.4 mt-10 -49.15 -44.72 42.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 9.7 mmt180 -66.52 -25.17 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 5.2 t80 -79.05 -48.75 13.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.0 OUTLIER -66.07 -39.1 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -67.4 -50.58 58.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.545 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 37.9 m170 -61.6 -39.42 91.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.733 HD13 ' SD ' ' A' ' 128' ' ' MET . 0.7 OUTLIER -64.41 -64.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.61 ' HB3' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -53.76 -22.14 8.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -69.2 -60.94 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.877 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -73.58 -11.09 60.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.733 ' SD ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.01 176.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.631 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.01 -154.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 201' ' ' VAL . 15.0 mm100 -117.32 -38.39 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.634 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.51 88.92 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 13.7 m -149.69 147.52 28.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.796 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -91.05 118.59 30.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -97.69 149.6 19.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.961 HD13 HG22 ' A' ' 197' ' ' VAL . 9.8 tp -140.23 99.17 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.918 HD12 ' CB ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -86.32 142.83 28.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.708 HD12 HG22 ' A' ' 195' ' ' VAL . 8.5 mm -125.67 105.6 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.99 ' C ' HD13 ' A' ' 139' ' ' LEU . 80.8 p -104.35 176.52 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.99 HD13 ' C ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -150.82 171.42 17.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -131.77 -74.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -25.18 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.736 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -25.38 135.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.488 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 16.0 pt20 174.58 -31.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.39 47.37 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.982 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.63 -30.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.866 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.7 OUTLIER -90.56 148.13 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.707 ' H ' HD23 ' A' ' 146' ' ' LEU . 8.5 pt-20 -66.91 102.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.33 129.13 4.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.32 5.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.474 ' CG ' ' O ' ' A' ' 142' ' ' ASP . 18.3 Cg_endo -75.03 133.89 17.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . 6.1 m-85 -87.95 14.64 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.481 ' O ' ' OG ' ' A' ' 152' ' ' SER . 3.8 p 37.0 60.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.478 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -43.65 118.24 2.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -75.03 121.33 6.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.733 ' CG ' ' CE1' ' A' ' 196' ' ' TYR . 2.3 mp0 -37.2 -39.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 157' ' ' TRP . 0.8 OUTLIER -58.36 -47.52 83.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.638 ' O ' ' HG2' ' A' ' 160' ' ' ARG . 60.3 t90 -53.68 -53.98 44.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.783 HD23 ' CG ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -50.94 -40.8 58.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.644 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -73.23 -18.37 61.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.655 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -83.16 -37.67 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.689 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.06 -60.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.783 ' CG ' HD23 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -57.2 6.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.689 ' H ' ' C ' ' A' ' 161' ' ' VAL . 28.8 t -98.04 101.63 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.575 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 142.72 62.57 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.8 m-20 150.43 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.628 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.69 127.79 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.3 95.16 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.655 HG12 HD23 ' A' ' 198' ' ' LEU . 31.7 m -77.56 136.85 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.652 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -130.86 136.75 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -66.52 126.25 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.809 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -156.0 165.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 60.52 -155.93 31.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 134.26 -67.62 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 176' ' ' THR . 8.3 tt0 -35.98 144.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . 0.568 ' HA ' ' O ' ' A' ' 191' ' ' MET . 4.8 p-10 -67.69 61.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 176' ' ' THR . 3.7 t -80.41 73.37 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.704 HD12 ' C ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -53.53 -20.38 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.436 ' OG ' ' ND2' ' A' ' 6' ' ' ASN . 15.0 t -73.24 -73.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.75 136.85 41.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -72.18 -29.79 64.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -24.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -67.41 -54.35 20.32 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.593 ' N ' HD22 ' A' ' 184' ' ' LEU . 2.0 mm? -72.94 -14.9 61.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.739 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -69.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.719 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.48 68.74 1.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.982 HD13 HD21 ' A' ' 145' ' ' LEU . 3.1 mm? -86.4 -52.18 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 77.99 -4.43 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 1.3 mtt180 158.76 103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.2 OUTLIER -149.04 142.07 24.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.3 OUTLIER -59.26 128.8 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -130.92 121.73 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 194' ' ' HIS . 0.2 OUTLIER -103.93 155.35 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.62 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.708 HG22 HD12 ' A' ' 137' ' ' ILE . 24.1 t -132.48 152.16 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.733 ' CE1' ' CG ' ' A' ' 155' ' ' GLN . 0.0 OUTLIER -145.25 118.93 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.961 HG22 HD13 ' A' ' 135' ' ' LEU . 41.5 t -85.43 106.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.756 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -105.64 102.77 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.92 98.07 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.2 100.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' ASN . 28.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.53 84.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.7 p -131.81 78.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.1 m-80 33.67 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -45.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 12' ' ' TYR . 1.7 m-20 -62.83 -46.46 87.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.761 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.5 tm? -50.96 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 14' ' ' SER . 20.4 pt20 -57.33 -33.82 68.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 1.7 tp60 -67.91 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.687 ' CE2' HG21 ' A' ' 171' ' ' VAL . 47.0 m-85 -44.13 -54.75 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.737 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.68 -55.46 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.1 m -48.23 -36.2 13.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -82.24 -50.85 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -38.6 -43.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.2 t-20 64.17 50.57 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 22' ' ' ALA . 58.0 t -61.05 137.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.972 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -43.31 148.96 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 102.84 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 112.54 -9.88 26.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.972 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.17 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.902 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 14.6 mmt85 -78.47 116.51 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.055 HG11 HD13 ' A' ' 38' ' ' LEU . 54.5 t -99.4 97.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 26' ' ' VAL . 1.5 tm? -81.33 152.86 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.863 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -162.15 124.14 1.67 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 1.011 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 -64.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.011 HD13 ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -144.36 65.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' CD1' ' A' ' 104' ' ' TYR . 34.7 t -112.24 -7.29 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -31.23 94.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mtpm? -119.33 -102.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.5 OUTLIER 178.64 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' HA ' ' HG ' ' A' ' 36' ' ' SER . 15.8 mm-40 -75.45 -51.28 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' HA ' HG23 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -51.45 -58.04 7.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.423 ' CG ' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -60.14 -61.53 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.516 ' HG ' ' HA ' ' A' ' 33' ' ' GLN . 94.7 p -44.45 -31.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.4 ' HD1' HG11 ' A' ' 5' ' ' VAL . 26.9 t90 -71.68 -49.78 36.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.055 HD13 HG11 ' A' ' 24' ' ' VAL . 19.6 mt -62.07 -66.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -45.52 -47.09 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.24 -24.69 45.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LEU . 18.3 mm-40 -91.9 -23.94 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 0.788 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.5 72.29 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -137.59 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.46 ' CD2' ' HE ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -93.05 82.4 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 82' ' ' ILE . 58.3 t -75.7 106.67 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 83' ' ' GLU . 1.8 p -139.62 110.68 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.863 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -156.12 179.29 32.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.956 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -114.18 169.0 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -126.78 99.97 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.863 HD23 ' HB3' ' A' ' 28' ' ' LEU . 3.0 mm? -68.18 72.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.746 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.2 128.2 10.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.44 -53.49 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.71 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -70.67 -37.52 73.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -58.67 -49.3 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.24 -46.54 86.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.83 -36.28 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.443 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -66.6 -46.88 74.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.626 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 4.4 m-30 -68.11 -24.67 65.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -36.53 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.21 -39.55 68.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -35.11 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.61 32.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.2 mt-10 75.31 148.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER 161.31 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.03 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.8 113.59 25.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 39.3 mm -106.39 120.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.765 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -122.74 150.6 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -109.59 108.9 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 85.56 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.28 -89.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 33.1 t70 -118.19 32.03 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 18.8 m-85 -144.91 173.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -132.43 156.72 46.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.765 HG13 HG22 ' A' ' 69' ' ' THR . 1.5 m -142.47 112.35 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.689 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.51 106.27 15.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.18 132.08 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.45 156.17 35.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.04 2.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.67 -55.08 0.73 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.865 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.9 164.62 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.599 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -106.45 51.73 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.55 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.54 112.58 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.956 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -102.01 105.52 16.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.571 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.4 t -74.43 139.55 44.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.583 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 137.27 -110.45 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.641 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -123.88 164.15 19.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.714 ' CB ' HD21 ' A' ' 50' ' ' LEU . 12.1 t80 -104.0 107.4 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 163.91 37.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.87 7.16 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.74 165.65 25.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -113.04 91.98 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.676 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -46.44 -19.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -84.5 -51.76 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 76.6 m-20 -55.98 -48.73 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.055 HD13 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -81.06 -33.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 1.055 ' N ' HD13 ' A' ' 97' ' ' ILE . . . -56.14 -78.1 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.645 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.32 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.629 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.811 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 10.4 t -147.85 141.86 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 108.347 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.97 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.69 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.737 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -158.39 167.78 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.666 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -149.16 113.18 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.713 ' CZ ' HD13 ' A' ' 137' ' ' ILE . 25.1 t80 -91.25 137.8 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.468 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 11.8 t0 -126.16 144.7 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 5.6 tpp180 -105.05 154.71 19.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.857 ' HB2' ' HA ' ' A' ' 138' ' ' THR . . . -46.1 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.94 -40.96 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.872 ' CE ' HD11 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -65.82 -30.23 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.706 HG21 ' HB ' ' A' ' 138' ' ' THR . 0.1 OUTLIER -70.36 -10.17 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.409 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -102.0 -35.24 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.863 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.2 mp -89.55 162.76 35.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.624 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.03 -155.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 -68.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 10.5 t70 -40.17 -60.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.863 ' HG2' HD23 ' A' ' 112' ' ' LEU . 9.9 tpp -50.85 -46.99 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.624 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 0.0 OUTLIER -52.81 -60.84 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.673 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.6 mt-10 -48.29 -38.83 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -72.67 -25.23 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.624 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 1.2 t80 -78.29 -53.26 7.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.633 HG21 HG22 ' A' ' 161' ' ' VAL . 1.4 m -61.72 -41.6 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 11.3 pt20 -66.09 -48.41 71.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 54.1 m170 -60.78 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.71 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.45 -60.55 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -55.29 -22.35 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.51 -62.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -87.31 25.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.679 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -92.09 177.23 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.679 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 8.5 pt20 -112.56 -46.82 3.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.811 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.36 100.93 4.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -156.49 160.13 39.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.436 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -101.45 108.0 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.527 ' CA ' ' CD2' ' A' ' 103' ' ' PHE . . . -85.21 139.37 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.938 HD13 HG22 ' A' ' 197' ' ' VAL . 12.0 tp -133.65 98.67 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.631 ' HB2' HD21 ' A' ' 198' ' ' LEU . 0.4 OUTLIER -86.1 134.52 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.713 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 3.6 mp -120.23 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.857 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 23.4 p -139.52 -179.92 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.936 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -146.54 174.35 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.497 ' CG ' ' HB2' ' A' ' 192' ' ' ASP . 4.1 pt-20 -130.07 -61.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.637 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.9 OUTLIER -37.17 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.76 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -29.39 146.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.512 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER 162.82 -21.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -133.37 47.62 2.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.955 ' C ' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 176.96 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -87.54 158.89 18.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.581 ' H ' HD23 ' A' ' 146' ' ' LEU . 3.6 mm-40 -73.41 105.83 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.15 124.73 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -75.02 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.504 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 127.61 10.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.55 18.77 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 153' ' ' VAL . 7.9 p 40.88 52.81 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.531 HG11 ' HG3' ' A' ' 109' ' ' MET . 7.9 p -37.44 119.2 0.87 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.511 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.93 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.5 tm0? -36.92 -47.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -45.15 -45.37 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.728 ' CZ2' HG11 ' A' ' 161' ' ' VAL . 63.3 t90 -57.39 -52.19 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.872 HD11 ' CE ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -51.37 -42.24 61.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.584 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.5 t60 -74.1 -17.89 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.848 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -81.83 -39.48 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.848 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -113.43 -56.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.899 ' HB3' HG11 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -57.77 6.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 33.2 t -104.75 96.96 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 169.27 46.35 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.715 ' O ' HG22 ' A' ' 201' ' ' VAL . 12.7 m-20 149.53 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.41 128.93 17.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.518 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 10.9 mt-10 -82.85 91.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.899 HG11 ' HB3' ' A' ' 162' ' ' MET . 2.4 m -70.76 126.19 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -117.25 152.02 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.41 ' HB3' ' NE2' ' A' ' 155' ' ' GLN . 7.8 pttt -83.04 133.93 35.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.918 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -161.07 169.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.13 -164.26 13.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 179.62 -163.41 30.7 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 7.4 pm0 -116.76 -177.69 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 59.32 14.62 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 176' ' ' THR . 8.9 t -116.52 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 1.028 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -89.68 -37.4 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.475 ' HA ' HD11 ' A' ' 184' ' ' LEU . 18.6 m80 -57.79 -44.82 86.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 178' ' ' HIS . 24.8 p -38.31 -68.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t -73.21 119.59 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 182' ' ' ARG . . . -59.84 -51.66 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 181' ' ' ALA . 27.8 mtt180 -38.07 -45.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -54.47 -62.68 5.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' A' ' 178' ' ' HIS . 3.7 mt -51.68 -34.89 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.12 74.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.801 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -73.92 -40.09 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.61 77.77 1.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.918 ' CD2' HD11 ' A' ' 145' ' ' LEU . 1.6 mp -111.74 -21.28 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 177' ' ' LEU . 14.7 pt-20 36.14 30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 161.25 100.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.936 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.1 OUTLIER -156.43 144.62 19.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 2.3 m-20 -81.42 125.39 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' A' ' 176' ' ' THR . 0.5 OUTLIER -115.78 128.76 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.2 OUTLIER -112.45 122.92 49.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.559 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.587 HG22 HG13 ' A' ' 137' ' ' ILE . 31.6 t -114.06 164.78 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.619 ' O ' HD12 ' A' ' 135' ' ' LEU . 20.3 m-85 -147.34 139.15 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.938 HG22 HD13 ' A' ' 135' ' ' LEU . 54.2 t -106.4 98.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.881 HD13 ' SD ' ' A' ' 162' ' ' MET . 0.1 OUTLIER -99.02 106.74 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.5 tt0 -76.16 103.27 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 2.9 ttm-85 -69.37 100.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 165' ' ' ASN . 29.9 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -138.95 84.79 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.1 p -131.7 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER 35.03 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -38.5 -45.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' TYR . 4.1 m-20 -60.15 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.859 HD23 ' CE1' ' A' ' 104' ' ' TYR . 2.7 tm? -45.06 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.32 -35.91 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -70.03 -74.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.669 ' CE2' HG13 ' A' ' 171' ' ' VAL . 42.4 m-85 -44.22 -54.52 5.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.899 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 5.1 t-105 -53.11 -55.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.7 m -46.03 -34.47 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -84.14 -52.7 6.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.569 HD21 ' OG ' ' A' ' 133' ' ' SER . 0.4 OUTLIER -38.46 -63.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 64.93 52.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 19' ' ' VAL . 14.8 p -67.12 155.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.005 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.7 p -32.35 140.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 110.62 3.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.42 -4.84 37.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.007 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -41.4 159.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.915 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.8 mmt85 -78.58 123.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 HD23 ' A' ' 38' ' ' LEU . 55.5 t -105.02 102.67 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 3.5 tm? -90.2 137.01 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.991 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -136.32 94.34 13.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.956 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 29.88 40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -117.94 -15.02 10.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -29.59 97.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -104.47 -98.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -178.44 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -77.51 -48.12 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.951 ' O ' HD22 ' A' ' 38' ' ' LEU . 8.7 p-10 -53.23 -45.96 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.571 ' HB2' HG11 ' A' ' 45' ' ' VAL . 18.9 ptm -76.62 -50.17 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 32' ' ' SER . 25.7 t -50.23 -33.9 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.944 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CE3' HD12 ' A' ' 38' ' ' LEU . 17.2 t90 -77.67 -55.37 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -46.89 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.475 ' H ' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -60.39 -52.56 64.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.24 -17.78 5.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 37' ' ' TRP . 4.5 tp-100 -92.39 -32.68 14.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.11 60.99 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.424 ' HE2' HG13 ' A' ' 18' ' ' VAL . 28.2 m-85 -139.25 165.87 26.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.459 ' O ' HG12 ' A' ' 46' ' ' VAL . 2.3 t-80 -87.13 80.28 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.576 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.063 HG12 HD11 ' A' ' 82' ' ' ILE . 78.9 t -72.35 115.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.676 ' CG1' HD13 ' A' ' 97' ' ' ILE . 1.2 p -148.96 107.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.991 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -147.64 -173.09 18.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.12 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.38 166.26 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -128.18 134.83 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -101.37 74.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.798 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -152.07 133.03 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -98.25 -49.52 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.24 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.798 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -69.08 -34.23 74.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.624 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.34 -51.21 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' N ' HG12 ' A' ' 55' ' ' VAL . 4.4 mm-40 -60.02 -42.91 95.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.72 82.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -66.29 -42.99 87.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 2.6 m-30 -71.76 -26.14 62.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -40.46 34.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.1 -44.14 69.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -77.27 -37.12 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.52 37.12 24.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 16.9 mt-10 73.08 149.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 165.5 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -74.97 -173.51 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 114.09 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.4 mm -100.26 130.22 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.501 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -128.72 153.43 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.7 m -100.71 134.0 44.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -142.26 85.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.42 -114.38 5.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.04 24.99 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 87.7 m-85 -140.52 173.41 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.672 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 tttt -126.44 176.23 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.989 HG13 ' HB2' ' A' ' 85' ' ' TRP . 70.6 t -142.37 102.64 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -108.52 101.57 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -110.23 141.33 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -107.19 167.31 9.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.3 Cg_endo -74.96 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.75 -54.12 40.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.063 HD11 HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -115.24 148.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.907 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.14 56.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.897 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -108.85 112.32 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.12 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -100.01 99.54 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.8 t -72.87 140.45 47.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.672 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.49 -100.69 0.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.621 ' HB3' ' CB ' ' A' ' 74' ' ' PHE . 3.6 p-10 -118.74 164.06 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 5.6 t80 -127.01 96.19 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.67 58.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.9 -42.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.055 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -79.18 -175.84 4.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 97' ' ' ILE . 4.4 m -125.3 86.73 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 1.036 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -53.04 -13.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.98 -56.62 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 15.6 m-20 -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.794 HG23 ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -80.8 -34.44 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.501 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -74.17 -76.66 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER 66.68 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.593 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.778 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -148.15 144.05 27.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.007 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.75 -111.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.899 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -167.04 172.31 10.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.663 ' N ' HH22 ' A' ' 200' ' ' ARG . 0.1 OUTLIER -151.7 152.13 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.859 ' CE1' HD23 ' A' ' 9' ' ' LEU . 3.1 t80 -115.55 117.73 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.834 ' CB ' HD12 ' A' ' 136' ' ' LEU . 2.0 t0 -101.71 141.04 35.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -111.65 172.36 6.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.667 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -61.45 88.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -121.45 -49.79 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.61 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.09 -31.36 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.801 HG22 HG12 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -63.96 -11.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.444 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -88.72 -62.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.69 167.85 5.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -73.41 -66.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.3 m-20 -39.47 -63.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.568 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 31.2 tpp -51.96 -46.79 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.897 ' O ' HG13 ' A' ' 121' ' ' VAL . 8.3 mtm180 -54.83 -37.58 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.3 mt-10 -66.32 -48.69 69.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -67.96 -20.16 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.438 ' CG ' HD11 ' A' ' 112' ' ' LEU . 1.6 t80 -75.63 -52.44 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -62.54 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -60.25 -50.2 74.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 8.5 m80 -55.24 -39.72 70.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.555 ' O ' ' HG2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -62.26 -64.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.655 ' HG3' ' CE2' ' A' ' 166' ' ' TRP . 13.6 mm-40 -53.33 -19.13 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -73.04 -57.66 3.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.036 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -87.71 2.62 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.713 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.5 mmt -65.72 177.09 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER 171.69 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.704 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -125.28 83.03 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 100' ' ' CYS . 4.7 m -148.84 165.35 31.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.684 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -111.19 108.68 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.613 ' N ' HH21 ' A' ' 200' ' ' ARG . . . -88.52 153.01 23.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.533 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.5 OUTLIER -139.1 99.44 3.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.854 HD23 HG23 ' A' ' 138' ' ' THR . 0.3 OUTLIER -82.78 135.28 35.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.754 HG13 HG22 ' A' ' 195' ' ' VAL . 3.5 mp -125.86 94.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.933 ' O ' HD13 ' A' ' 139' ' ' LEU . 32.4 p -103.83 172.16 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.933 HD13 ' O ' ' A' ' 138' ' ' THR . 0.1 OUTLIER -129.5 174.56 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -132.77 -73.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 142' ' ' ASP . 49.3 t80 -35.07 -71.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.738 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.4 138.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 1.6 pp0? 173.63 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -125.06 48.47 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.982 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.905 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.6 OUTLIER -88.9 151.22 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.735 ' H ' HD23 ' A' ' 146' ' ' LEU . 28.3 mm-40 -59.7 101.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.97 137.56 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.02 131.43 14.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.467 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -84.13 16.46 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.5 p 35.68 51.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.801 HG12 HG22 ' A' ' 110' ' ' ILE . 11.2 p -35.75 117.98 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.519 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.99 133.45 16.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.598 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.9 tt0 -46.22 -48.13 17.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.0 OUTLIER -43.93 -44.46 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.709 ' HE3' HD12 ' A' ' 158' ' ' LEU . 76.4 t90 -58.38 -52.38 65.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.709 HD12 ' HE3' ' A' ' 157' ' ' TRP . 1.6 mp -52.75 -35.83 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.65 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -79.57 -18.24 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.767 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.73 -38.54 23.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.767 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -114.16 -57.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.678 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -59.92 6.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 12.3 t -93.58 107.18 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.84 59.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.1 m-20 147.6 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.93 133.37 20.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.983 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 mt-10 -93.9 100.91 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.836 HG12 HD23 ' A' ' 198' ' ' LEU . 26.7 m -74.86 130.08 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -120.33 141.3 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.473 ' C ' HG23 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -59.41 131.95 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.918 HG21 HG23 ' A' ' 197' ' ' VAL . 98.6 t -155.8 170.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.587 ' N ' HG12 ' A' ' 171' ' ' VAL . . . 64.56 -172.26 18.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -174.39 -140.16 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 3.5 pm0 -125.23 175.04 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.44 18.1 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 176' ' ' THR . 9.6 t -116.43 74.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.3 tm? -78.34 -37.05 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -84.48 46.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 176' ' ' THR . 32.1 t -137.44 -44.7 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.604 ' HB3' ' HE3' ' A' ' 191' ' ' MET . 4.8 t -93.83 118.8 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.36 69.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 106' ' ' ARG . 1.3 mmt180 -57.95 -17.58 17.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.915 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -75.46 -42.03 28.56 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.613 ' N ' HD22 ' A' ' 184' ' ' LEU . 1.2 mm? -85.67 -14.71 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -80.33 -48.2 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.637 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -89.94 -29.58 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.47 68.37 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.982 ' CD1' HD11 ' A' ' 145' ' ' LEU . 3.0 mm? -86.15 -36.24 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.8 pt-20 49.54 19.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.553 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 153.27 96.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.604 ' HE3' ' HB3' ' A' ' 180' ' ' SER . 1.4 ptt? -153.3 155.18 36.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -84.52 127.82 34.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 173' ' ' GLY . 28.5 tt0 -118.47 111.46 18.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -98.02 122.74 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.754 HG22 HG13 ' A' ' 137' ' ' ILE . 47.1 t -112.72 162.24 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 26.1 m-85 -155.2 133.43 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.918 HG23 HG21 ' A' ' 171' ' ' VAL . 53.6 t -93.93 105.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.836 HD23 HG12 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -96.53 104.62 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.663 HH22 ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -66.59 97.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 130' ' ' GLN . 35.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 2.0 pt-20 -140.09 84.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.842 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.2 p -131.72 78.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.499 ' O ' ' O ' ' A' ' 5' ' ' VAL . 12.0 m-80 37.33 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -45.75 -37.66 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -66.84 -48.51 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 9' ' ' LEU . 3.3 tm? -51.42 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.84 -33.76 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 5.9 tp60 -69.33 -79.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.507 ' CE2' HG21 ' A' ' 171' ' ' VAL . 40.1 m-85 -44.17 -53.47 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.055 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.5 t-105 -51.37 -57.13 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 5.9 m -47.03 -34.67 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -82.17 -44.81 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -46.45 -41.47 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 23.6 t-20 64.92 42.78 4.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 37.8 t -48.41 145.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.136 HG23 ' HB2' ' A' ' 22' ' ' ALA . 2.4 m -53.26 150.95 10.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.62 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.57 -8.57 28.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.136 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -41.0 153.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.924 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 23.3 mmt85 -90.66 132.56 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 38' ' ' LEU . 60.7 t -108.82 109.78 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.932 HD13 ' HD3' ' A' ' 27' ' ' PRO . 1.6 tm? -79.5 128.18 33.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -118.56 90.3 39.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.932 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.1 Cg_endo -75.0 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.813 HD11 ' OH ' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 42.42 26.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' HB3' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -95.04 -30.14 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.655 ' HA2' HD12 ' A' ' 84' ' ' ILE . . . 59.17 -116.88 9.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -103.85 167.63 9.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.407 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER 168.67 164.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.845 ' HG2' ' HB2' ' A' ' 181' ' ' ALA . 5.4 mm100 -49.04 -41.74 36.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.627 ' OD1' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.3 -58.18 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.814 ' CG ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.59 -51.83 19.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -38.36 83.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.842 ' HB2' HG21 ' A' ' 5' ' ' VAL . 69.4 t90 -62.33 -39.87 94.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 24' ' ' VAL . 9.2 mt -67.21 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.3 -32.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.78 -38.2 37.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 9.7 mm-40 -71.35 -32.79 68.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.95 66.45 0.61 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -132.12 172.17 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 46.3 m170 -99.83 91.96 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.614 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.814 HG11 ' CG ' ' A' ' 35' ' ' MET . 48.3 t -85.31 120.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.878 HG13 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -144.83 114.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.67 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -162.49 -173.45 31.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.041 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -138.07 160.85 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.641 ' HG3' ' HA ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -123.9 118.04 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.7 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 3.4 mm? -75.1 82.65 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.663 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.3 132.81 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -98.36 -49.44 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.13 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -66.35 -34.0 76.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.652 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -62.66 -53.32 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -59.26 -43.33 92.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.62 -40.09 93.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -61.67 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.652 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 1.9 m-30 -73.94 -24.25 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -76.99 -42.07 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -47.14 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 71.97 32.81 63.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 1.4 mt-10 84.03 142.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 164.23 -50.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.0 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.27 113.06 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.639 HG22 ' HE3' ' A' ' 75' ' ' LYS . 8.4 mm -110.58 127.17 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.694 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -135.41 145.94 47.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 t -109.95 114.35 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -110.66 98.01 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.76 -106.02 1.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.16 21.7 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CE1' ' OD2' ' A' ' 88' ' ' ASP . 20.0 m-85 -130.11 172.66 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.639 ' HE3' HG22 ' A' ' 68' ' ' ILE . 6.1 tttp -134.61 164.63 27.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.16 118.7 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.782 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -118.14 100.53 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.82 133.9 42.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.77 152.9 37.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.08 -53.88 0.65 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -111.23 163.72 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.661 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.16 48.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.655 HD12 ' HA2' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -105.09 118.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.041 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -112.43 119.81 39.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.641 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 8.1 t -83.79 148.79 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 128.7 -99.77 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.617 ' HA ' HD13 ' A' ' 50' ' ' LEU . 12.6 t70 -130.36 163.18 27.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.977 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -140.16 126.78 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 157.0 41.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.31 36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -126.44 -1.34 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 97' ' ' ILE . 7.5 m 51.08 83.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.395 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -60.38 -12.06 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 128' ' ' MET . 36.8 ttt85 -82.96 -43.29 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -26.69 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.878 ' CD1' HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -91.78 -29.05 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -82.88 -70.88 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 3.0 p-80 54.25 -73.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.623 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.784 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.9 p -141.33 137.03 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.025 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.19 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.055 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -171.79 -175.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -158.98 147.05 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.71 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 16.0 t80 -117.68 120.47 38.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 1.7 t0 -106.34 137.68 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -112.45 172.02 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 139' ' ' LEU . . . -50.88 112.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.425 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -156.38 -59.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.7 ' HE2' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -69.92 -9.45 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 150' ' ' PRO . 0.1 OUTLIER -83.97 -12.86 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.472 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -99.87 -9.4 22.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.937 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.3 mp -98.45 165.99 14.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -56.92 -64.31 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.4 m-20 -39.86 -55.82 1.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.937 ' HG2' HD23 ' A' ' 112' ' ' LEU . 11.0 tpp -59.62 -45.22 92.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.949 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -54.71 -38.93 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.586 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.8 mt-10 -67.18 -50.95 59.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.514 ' HD3' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -64.21 -20.67 66.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.813 ' OH ' HD11 ' A' ' 28' ' ' LEU . 3.0 t80 -78.27 -55.8 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.949 HG13 ' O ' ' A' ' 117' ' ' ARG . 2.2 m -57.39 -41.7 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 7.8 pt20 -67.34 -46.67 72.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.514 ' CE1' ' HD3' ' A' ' 119' ' ' ARG . 14.0 m170 -58.19 -40.41 81.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.74 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -66.08 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.518 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -53.41 -18.7 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -74.47 -63.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -84.3 14.89 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.74 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -80.89 177.0 3.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.01 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.22 -38.06 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.95 90.04 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -146.27 149.74 34.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.946 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -95.92 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.573 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -91.21 147.76 19.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.539 ' CD2' HG13 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -139.57 104.94 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.775 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -86.46 137.95 32.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 136' ' ' LEU . 6.0 mm -123.68 92.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.733 ' C ' HD12 ' A' ' 139' ' ' LEU . 31.1 p -97.47 168.36 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 138' ' ' THR . 0.4 OUTLIER -149.26 165.11 32.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.37 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.54 ' OE2' ' CD2' ' A' ' 194' ' ' HIS . 5.7 pt-20 -131.11 -59.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.486 ' O ' ' CG ' ' A' ' 143' ' ' GLN . 58.7 t80 -38.0 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.602 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -35.91 153.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.571 ' CB ' ' O ' ' A' ' 142' ' ' ASP . 1.1 pp0? 154.63 -16.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.14 42.62 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.951 HD21 ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 176.27 -33.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.677 ' H ' HD13 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -86.69 151.91 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.503 ' H ' HD23 ' A' ' 146' ' ' LEU . 4.8 pt-20 -66.01 109.24 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.464 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 81.51 120.32 0.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.03 110.94 3.21 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.04 139.2 23.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -97.42 7.16 47.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 151' ' ' PHE . 1.1 p 58.63 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.548 HG21 HH21 ' A' ' 117' ' ' ARG . 3.8 t -124.38 121.22 26.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.541 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.536 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -39.75 -47.24 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -44.79 -41.76 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.431 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.732 ' CH2' ' HD2' ' A' ' 117' ' ' ARG . 54.4 t90 -63.75 -48.17 78.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.616 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.4 OUTLIER -56.39 -35.49 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.638 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -82.22 -17.52 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.721 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.08 -39.03 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.721 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.4 -59.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.64 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.54 5.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.67 ' H ' ' C ' ' A' ' 161' ' ' VAL . 16.0 t -95.37 108.22 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 133.62 64.05 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 6.2 m-20 151.19 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.81 148.14 32.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -96.05 86.29 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 198' ' ' LEU . 17.9 m -70.59 128.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.613 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -124.26 135.11 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 129.68 40.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.937 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -159.13 166.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 80.68 -149.24 29.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.01 -126.46 1.72 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.43 171.78 13.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.36 9.7 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 176' ' ' THR . 13.6 t -116.23 74.12 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.503 ' CG ' ' HA3' ' A' ' 183' ' ' GLY . 8.8 tt -90.55 -48.4 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -28.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 1.8 m -60.93 -51.59 68.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' LEU . 95.2 p -94.84 157.05 16.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -91.09 -34.13 15.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -43.97 -33.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.536 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -64.97 -39.28 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 181' ' ' ALA . 0.9 OUTLIER -78.21 -21.03 50.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -46.75 53.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.662 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -90.62 -40.06 12.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 91.93 79.22 1.4 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.951 ' HG ' HD21 ' A' ' 145' ' ' LEU . 3.6 mp -112.64 -17.16 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 33.65 32.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 152.45 89.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 139' ' ' LEU . 25.0 ptt? -139.46 137.72 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 113.47 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 173' ' ' GLY . 13.3 tt0 -125.45 114.27 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.54 ' CD2' ' OE2' ' A' ' 140' ' ' GLU . 69.9 m-70 -95.37 123.16 38.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.739 HG22 HD12 ' A' ' 137' ' ' ILE . 15.7 t -103.07 152.5 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 23.5 m-85 -144.55 115.58 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.937 HG23 HG11 ' A' ' 171' ' ' VAL . 72.3 t -84.1 101.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.809 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.8 109.17 21.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -79.26 97.75 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.4 103.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -140.5 84.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -132.02 78.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.507 ' O ' ' O ' ' A' ' 5' ' ' VAL . 12.1 m-80 34.28 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -43.56 -39.67 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 4.7 m-20 -63.78 -52.85 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.565 ' C ' HD13 ' A' ' 9' ' ' LEU . 2.8 tm? -48.76 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.3 pt20 -55.74 -29.59 59.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 14.7 tp60 -73.06 -79.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CE1' HG11 ' A' ' 197' ' ' VAL . 47.6 m-85 -43.89 -41.73 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.841 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 3.9 t-105 -66.03 -44.89 83.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -56.84 -29.46 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -40.16 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 133' ' ' SER . 5.1 mt -56.14 -40.96 74.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t30 41.21 41.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 19' ' ' VAL . 11.9 p -49.37 155.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.045 HG23 ' HB2' ' A' ' 22' ' ' ALA . 4.6 m -33.12 142.08 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 105.37 -4.51 40.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.045 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -39.64 158.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.948 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 14.1 mmt85 -83.8 120.1 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.902 HG23 ' HA ' ' A' ' 45' ' ' VAL . 2.8 m -105.75 118.79 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.859 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -101.59 137.43 39.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.804 ' N ' HD13 ' A' ' 25' ' ' LEU . 35.8 m -138.92 104.83 7.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.711 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 136.63 20.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.56 48.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 9.2 t -98.31 -34.18 10.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.3 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 54.8 -116.24 6.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 132.2 46.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.76 154.9 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 20.8 mm-40 -55.69 -35.86 66.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.42 -58.24 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.615 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -54.27 -57.39 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -33.03 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.662 ' HB2' HG21 ' A' ' 5' ' ' VAL . 15.3 t90 -72.01 -38.31 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.93 -59.38 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.407 ' OG ' HG21 ' A' ' 45' ' ' VAL . 7.0 m -51.67 -43.55 62.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.2 71.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -84.13 -37.58 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.44 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CE1' ' HB3' ' A' ' 41' ' ' GLN . 10.2 m-85 -123.07 175.01 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -89.2 75.39 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 82' ' ' ILE . 85.4 t -65.85 110.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.03 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.4 p -141.88 114.65 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.665 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -147.93 -176.91 21.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.05 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.59 161.91 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.571 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.91 122.73 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HG ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -96.31 67.02 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.916 ' O ' HG13 ' A' ' 55' ' ' VAL . 68.7 m -153.6 98.82 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.705 ' O ' HG22 ' A' ' 55' ' ' VAL . 3.9 tt0 -60.83 -61.19 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.04 -36.11 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -61.05 -55.52 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -50.8 -36.7 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 14.9 mt-10 -65.23 -44.67 87.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.514 ' CD ' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.23 -31.91 72.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -75.46 -35.79 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 8.2 m-30 -71.86 -30.87 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -34.8 26.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.37 -39.09 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -87.12 -33.95 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.54 40.31 32.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.7 mt-10 74.3 146.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.793 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 163.33 -49.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.04 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 77' ' ' TYR . 4.3 t60 -90.05 111.97 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 77' ' ' TYR . 5.3 mm -108.49 130.87 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.784 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -136.22 143.42 44.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 m -95.5 120.18 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.47 85.08 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.29 -111.27 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 18.47 18.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.1 m-85 -133.65 172.57 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.592 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -132.51 164.33 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' HB2' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -143.09 108.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.736 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -116.49 100.57 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -97.99 154.15 17.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.77 156.01 56.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.12 -52.62 2.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.991 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.02 173.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.753 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.74 43.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -99.86 108.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.05 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 1.4 p-90 -101.03 104.58 15.73 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.597 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -68.32 149.46 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.676 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 132.24 -105.0 0.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.681 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.1 t70 -140.65 163.25 33.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CZ ' HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -114.05 133.43 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.645 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 153.88 40.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 175.36 51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.959 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -139.1 -5.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.73 ' O ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER 38.74 79.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.736 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -58.68 -11.52 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 127' ' ' LEU . 1.8 ptt85 -80.65 -45.31 17.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -67.59 -45.95 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.03 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -74.82 -40.3 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -66.79 -75.99 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 1.6 t-80 64.08 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.7 t -144.8 137.83 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.023 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.77 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.848 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -168.49 -173.8 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.683 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 4.4 p90 -168.85 138.43 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 34' ' ' ASP . 3.2 t80 -103.05 117.17 33.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.823 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -96.98 128.1 43.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -96.97 165.25 12.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.523 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -58.87 101.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -134.27 -53.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.688 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.25 -28.11 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.579 HG22 ' CG1' ' A' ' 153' ' ' VAL . 0.2 OUTLIER -62.17 -15.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.3 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.83 169.79 0.49 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -66.35 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 t0 -39.25 -56.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.586 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 28.2 tpp -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.919 ' O ' HG13 ' A' ' 121' ' ' VAL . 32.5 mtp180 -51.92 -45.65 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.566 ' HG2' HG21 ' A' ' 161' ' ' VAL . 9.7 mt-10 -66.0 -46.43 78.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.441 ' O ' ' ND1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -62.49 -23.3 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.506 ' OH ' HD21 ' A' ' 28' ' ' LEU . 65.0 t80 -78.57 -51.4 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.919 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.1 m -61.31 -41.58 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 9.9 pt20 -66.85 -48.51 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.6 m170 -55.49 -41.76 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.63 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.726 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -67.57 -60.39 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.634 ' HB2' ' CZ2' ' A' ' 166' ' ' TRP . 0.2 OUTLIER -51.63 -20.96 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.05 -58.92 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.799 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -81.15 3.73 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.69 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.9 mmt -71.74 175.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.69 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -74.97 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 mt-30 -105.63 -48.55 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.33 97.06 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 33.4 m -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.848 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -103.16 107.5 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.683 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.77 149.68 20.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -144.12 109.43 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.967 HD23 HG23 ' A' ' 138' ' ' THR . 0.3 OUTLIER -91.85 144.75 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' A' ' 195' ' ' VAL . 13.9 mm -127.42 98.08 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.967 HG23 HD23 ' A' ' 136' ' ' LEU . 78.8 p -106.31 168.55 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.734 HD22 ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -135.29 164.17 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.6 tm-20 -118.08 -82.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.552 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.1 m-85 -27.64 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.734 ' OD2' HD22 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -28.68 139.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 7.0 pt20 168.37 -28.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.4 44.03 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.89 -31.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.882 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.8 OUTLIER -87.44 143.77 27.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.6 ' H ' HD23 ' A' ' 146' ' ' LEU . 15.2 mt-10 -53.54 106.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 77.66 131.58 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.5 Cg_endo -74.98 113.96 3.91 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.5 13.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -79.94 9.92 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 153' ' ' VAL . 6.8 p 47.74 46.24 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.799 ' CG1' HG21 ' A' ' 138' ' ' THR . 8.1 p -36.83 115.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.53 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -75.0 142.94 28.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 8.7 tm0? -55.5 -44.65 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 154' ' ' PRO . 11.3 t -52.63 -39.75 62.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.625 ' CE2' HG11 ' A' ' 161' ' ' VAL . 70.8 t90 -62.06 -52.01 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.1 mt -52.47 -46.42 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.536 ' O ' ' CB ' ' A' ' 163' ' ' SER . 9.1 t-80 -69.93 -20.11 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.614 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.01 -32.88 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.625 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.32 -70.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.608 ' N ' HG22 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -39.8 -29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 1.9 t -50.97 109.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -168.67 -44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.907 ' O ' HG22 ' A' ' 201' ' ' VAL . 21.8 m-80 -149.65 -49.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.634 ' CZ2' ' HB2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -80.05 96.71 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.68 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.4 mm-40 -64.89 96.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.683 HG12 ' HB3' ' A' ' 198' ' ' LEU . 1.4 m -74.52 138.51 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.846 HG22 HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -129.56 142.94 50.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.506 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -67.74 138.03 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.601 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -168.23 170.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.601 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.68 -152.82 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 176' ' ' THR . . . 178.52 172.59 43.05 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pm0 -97.84 171.23 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 54.9 21.41 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 176' ' ' THR . 12.6 t -116.55 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -75.57 -41.08 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -53.57 -30.36 41.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 1.0 OUTLIER -42.2 -39.41 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.9 t -122.26 165.11 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -91.33 -31.89 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -25.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.986 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -64.23 -54.84 27.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.7 OUTLIER -74.27 -15.15 60.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -37.53 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.684 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -95.09 -38.81 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 99.39 66.75 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 145' ' ' LEU . 2.8 mm? -87.73 -52.65 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.63 -1.46 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.337 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 160.68 116.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.58 ' HE1' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -167.28 153.49 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.503 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.0 m-20 -77.69 135.06 38.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.604 ' HB3' HG23 ' A' ' 176' ' ' THR . 7.0 tt0 -122.43 120.88 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -103.22 122.66 45.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' A' ' 137' ' ' ILE . 11.6 t -111.21 151.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 19.0 m-85 -139.7 114.34 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.846 HG12 HG22 ' A' ' 169' ' ' THR . 7.8 p -90.72 106.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.683 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -103.3 144.33 31.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.3 mt-10 -112.08 97.72 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.3 OUTLIER -63.22 93.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 165' ' ' ASN . 34.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.59 85.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.594 HG21 ' CB ' ' A' ' 37' ' ' TRP . 1.4 p -131.58 78.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.629 HD21 HD12 ' A' ' 137' ' ' ILE . 3.9 t30 33.75 92.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.68 -35.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.6 ' OD2' HG21 ' A' ' 195' ' ' VAL . 2.4 m-20 -66.38 -52.82 42.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.881 HD23 ' CE1' ' A' ' 104' ' ' TYR . 3.3 tm? -52.64 -65.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.8 pp0? -53.94 -31.28 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.55 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.3 tt0 -69.42 -78.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' LEU . 25.1 m-85 -44.08 -54.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.035 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t-105 -51.82 -54.33 30.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 7.5 t -48.64 -34.11 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 16' ' ' LEU . 56.5 m -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' TYR . 10.8 mt -35.28 -43.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 37.9 t30 60.39 40.56 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.729 HG12 ' CB ' ' A' ' 22' ' ' ALA . 87.3 t -41.78 143.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.85 152.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.55 2.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 42' ' ' GLY . . . 104.67 -0.6 42.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.026 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -38.69 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.954 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -91.25 128.33 37.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.994 HG11 ' CD1' ' A' ' 38' ' ' LEU . 15.9 t -104.37 111.92 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.78 ' C ' HD13 ' A' ' 25' ' ' LEU . 1.3 tm? -87.96 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.721 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -130.35 121.1 19.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.906 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 -43.98 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.906 HD23 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -169.45 24.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.616 ' H ' HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -78.25 -15.79 58.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 66.0 -114.07 6.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -125.12 -98.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.46 -162.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -70.7 -37.82 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.599 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.3 p-10 -53.32 -57.7 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.631 ' HG3' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.49 -58.23 8.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.429 ' HA ' ' CE ' ' A' ' 35' ' ' MET . 21.7 m -44.43 -37.19 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CB ' HG21 ' A' ' 5' ' ' VAL . 63.8 t90 -70.57 -44.52 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.994 ' CD1' HG11 ' A' ' 24' ' ' VAL . 71.8 mt -58.08 -62.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.496 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 64.2 p -50.13 -41.86 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.31 -30.24 75.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -73.46 -38.26 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' A' ' 21' ' ' GLY . . . 114.39 46.2 0.64 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 6.6 m-85 -115.8 172.7 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -94.51 93.22 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.925 HG12 HD11 ' A' ' 82' ' ' ILE . 77.5 t -75.76 112.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 1.013 HG13 ' HB3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -135.29 127.91 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.758 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 173.82 176.58 42.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.871 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -111.56 168.28 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.545 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -125.06 93.56 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.744 ' HG ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.02 75.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.872 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -152.48 130.8 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.84 73.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.872 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -70.19 -41.34 73.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.579 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -56.51 -52.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 55' ' ' VAL . 3.4 mm-40 -60.55 -46.27 90.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -57.88 -37.53 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -66.55 -42.63 86.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 3.4 m-30 -68.41 -27.53 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -39.81 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.01 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.463 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 4.0 mtt-85 -84.21 -35.03 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 77.28 40.22 24.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.7 mt-10 77.85 150.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.87 -49.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.19 112.08 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.626 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 59' ' ' PHE . 1.9 mm -98.46 138.62 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.65 149.85 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -113.5 96.13 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.517 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 56.2 mm-40 -85.02 85.09 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.58 -91.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 1.7 t70 -117.09 26.39 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.626 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 21.1 m-85 -136.08 169.48 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -121.52 157.61 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.87 HG13 ' HB2' ' A' ' 85' ' ' TRP . 26.0 t -141.59 100.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.6 t80 -103.35 101.64 11.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.58 131.64 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 158.23 34.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.95 -55.75 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.023 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -103.32 142.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 1.013 ' HB3' HG13 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -93.88 49.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.023 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.93 122.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.871 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.25 101.45 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 2.9 t -70.41 127.31 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.465 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 149.35 -106.96 0.34 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.626 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -128.53 163.67 24.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.712 ' HB3' HD21 ' A' ' 50' ' ' LEU . 2.9 t80 -108.42 107.9 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 166.35 40.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.517 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -152.24 23.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.012 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -149.26 159.96 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.767 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -104.97 101.58 11.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 1.042 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -56.16 -18.45 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -85.29 -38.77 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 9.0 t0 -64.42 -41.67 96.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.814 HD12 ' C ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -84.45 -46.13 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -52.24 -68.82 1.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.754 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.4 OUTLIER 47.88 -89.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.768 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 76.7 m -135.12 132.53 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.026 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.19 -106.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.035 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -172.96 -173.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -157.34 152.22 25.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.881 ' CE1' HD23 ' A' ' 9' ' ' LEU . 2.0 t80 -123.24 122.89 39.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.595 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -112.9 153.75 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.75 172.09 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.745 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -57.87 100.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.58 -43.06 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.988 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.59 -7.29 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.872 HD12 ' N ' ' A' ' 111' ' ' ALA . 1.2 pp -87.75 -11.01 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.872 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -103.25 -47.06 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.851 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.4 mp -75.1 164.12 63.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.86 -49.56 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 9.6 t70 -55.52 -60.97 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.851 ' HG2' HD23 ' A' ' 112' ' ' LEU . 25.4 tpp -51.15 -56.27 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 1.073 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -53.45 -38.18 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 1.2 mt-10 -60.55 -43.32 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 3.7 mmt180 -73.06 -24.18 60.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.411 ' CD1' ' NH2' ' A' ' 117' ' ' ARG . 1.6 t80 -77.87 -44.55 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 1.073 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -66.96 -42.77 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 3.2 pt20 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.457 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 47.5 m170 -63.64 -34.24 77.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.694 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.549 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -53.3 -26.72 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.447 ' N ' ' OE1' ' A' ' 125' ' ' GLU . . . -72.76 -49.25 32.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.042 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -85.31 -3.21 58.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.659 ' CG ' HD13 ' A' ' 124' ' ' LEU . 3.4 mmt -65.16 174.99 1.14 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.754 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.1 Cg_endo -75.02 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 201' ' ' VAL . 9.9 tt0 -110.31 -39.56 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.671 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -141.75 93.57 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -151.63 144.05 24.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.981 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -93.64 107.63 19.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.648 ' O ' HD12 ' A' ' 198' ' ' LEU . . . -84.86 143.01 20.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.591 HD11 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -129.92 100.62 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.988 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.88 130.19 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.629 HD12 HD21 ' A' ' 6' ' ' ASN . 13.5 mm -115.47 107.18 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 1.036 ' O ' HD13 ' A' ' 139' ' ' LEU . 1.2 p -120.91 172.23 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 1.036 HD13 ' O ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -139.18 176.26 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 141' ' ' TYR . 3.0 tt0 -131.26 -80.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.577 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.6 m-85 -24.36 -81.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.768 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -25.76 139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 6.8 pt20 175.86 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -126.06 50.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.981 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.19 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.897 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -91.3 150.49 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.65 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.8 OUTLIER -64.78 102.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.7 125.42 2.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 110' ' ' ILE . 18.2 Cg_endo -75.01 135.46 19.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -89.93 18.05 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 153' ' ' VAL . 5.0 p 41.68 50.16 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.816 ' H ' HG22 ' A' ' 110' ' ' ILE . 7.6 p -39.26 114.07 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.603 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.98 127.87 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.609 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.7 OUTLIER -42.97 -31.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 154' ' ' PRO . 6.0 t -57.66 -38.03 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.606 ' CE2' HG11 ' A' ' 161' ' ' VAL . 75.7 t90 -64.67 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 108.021 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.5 mt -51.88 -28.12 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.702 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.6 OUTLIER -84.8 -21.31 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.613 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.4 OUTLIER -84.01 -34.08 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.689 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -113.99 -63.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.93 6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 14.2 t -95.23 97.94 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 147.83 60.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.688 ' O ' HG22 ' A' ' 201' ' ' VAL . 1.1 m120 151.12 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.02 145.24 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.2 mm-40 -98.97 94.09 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.828 HG12 ' HB3' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -81.39 131.05 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.824 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.77 148.57 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.384 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.585 ' N ' HE21 ' A' ' 155' ' ' GLN . 0.2 OUTLIER -66.01 133.47 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.62 HG22 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -164.12 167.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.62 -139.2 14.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 171.35 157.85 14.13 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -105.78 168.88 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.16 21.94 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 176' ' ' THR . 12.3 t -109.31 74.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 190' ' ' ARG . 2.5 tm? -60.74 -47.86 84.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.89 62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.59 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 36.8 t -159.24 -43.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 30.2 t -91.39 135.66 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.06 29.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -19.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.943 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.76 -46.73 72.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.634 ' N ' HD22 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -85.82 -15.55 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -52.51 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.659 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -84.68 -29.63 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.82 67.47 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.981 HD13 HD21 ' A' ' 145' ' ' LEU . 3.1 mm? -85.15 -43.5 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 190' ' ' ARG . 3.7 mm-40 59.93 12.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.597 ' H ' HD23 ' A' ' 177' ' ' LEU . 6.2 ptm180 159.31 104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.532 ' HA ' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -162.42 149.11 13.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 19.6 t0 -82.97 134.09 35.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 30.5 tt0 -116.06 121.55 42.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 138' ' ' THR . 31.4 m-70 -106.11 123.14 47.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.62 ' CG1' HG22 ' A' ' 171' ' ' VAL . 21.6 t -117.33 149.55 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.828 ' HB3' HG12 ' A' ' 168' ' ' VAL . 18.0 m-85 -140.37 117.12 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.824 HG12 HG22 ' A' ' 169' ' ' THR . 0.8 OUTLIER -83.76 103.53 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.881 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.97 103.92 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.02 99.74 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -66.8 103.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 165' ' ' ASN . 16.9 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 1.2 pt-20 -140.67 84.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.964 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.8 p -131.9 78.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.51 ' O ' ' O ' ' A' ' 5' ' ' VAL . 8.1 m-20 37.71 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.578 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -49.79 -36.86 27.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.725 ' OD2' HG21 ' A' ' 195' ' ' VAL . 26.8 m-20 -71.64 -26.58 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.86 ' C ' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -71.15 -66.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' SER . 14.7 pt20 -60.1 -29.55 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.9 tp60 -66.13 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.713 ' CD1' HG21 ' A' ' 197' ' ' VAL . 13.7 m-85 -44.66 -54.15 6.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.999 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.5 t-105 -48.52 -55.4 11.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 107.946 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 9.0 t -46.55 -45.43 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 4.6 t -76.05 -49.39 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB3' HG23 ' A' ' 18' ' ' VAL . 1.1 mt -39.46 -56.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 18.2 t-20 67.46 37.22 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 16' ' ' LEU . 95.8 t -51.13 143.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.044 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 4.7 p -35.46 143.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 90.44 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.26 6.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.044 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . . . -46.88 157.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.902 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -81.91 114.6 20.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG13 ' HH2' ' A' ' 13' ' ' TRP . 20.3 t -104.46 101.77 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.978 ' HB2' HD11 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -94.09 153.96 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.746 HG23 ' HA3' ' A' ' 47' ' ' GLY . 19.4 m -156.22 108.4 2.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.933 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 133.99 17.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.933 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.07 49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' PRO . 12.1 t -84.01 -35.25 24.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 34.85 68.22 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -117.26 177.77 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.58 -44.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 40.3 mm-40 -73.62 -54.12 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -58.06 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -57.85 -62.09 2.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.408 ' H ' ' CG ' ' A' ' 35' ' ' MET . 51.2 m -44.4 -30.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.964 ' HB2' HG21 ' A' ' 5' ' ' VAL . 9.0 t90 -73.41 -45.72 52.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -59.06 -66.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -48.88 -48.56 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.39 -22.88 2.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -95.65 -35.65 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.49 68.9 0.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -135.75 170.57 15.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.86 87.01 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.66 HG12 HD11 ' A' ' 82' ' ' ILE . 59.4 t -77.35 96.89 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.739 HG13 ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -115.47 94.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.746 ' HA3' HG23 ' A' ' 26' ' ' VAL . . . -130.95 173.22 20.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.071 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.32 169.25 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.77 129.96 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.917 HD23 HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -96.3 69.78 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.657 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -152.46 135.13 15.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -98.11 -46.52 5.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.65 97.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -61.49 -34.78 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.831 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.5 t -64.26 -52.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.83 -42.68 89.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -61.75 -38.27 87.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -65.41 -40.7 93.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 3.1 m-30 -69.06 -33.1 73.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -43.33 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 7.8 mtt85 -72.55 -35.42 68.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.19 40.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 76.64 148.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.9 -49.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.98 -176.74 3.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -99.18 113.64 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.638 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.534 HG21 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mm -102.08 131.17 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.682 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -127.24 155.86 42.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -115.28 103.36 10.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.493 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -91.21 84.86 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.77 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLN . 28.5 t0 -123.97 29.82 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 17.7 m-85 -137.98 172.59 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -126.04 152.62 45.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 85' ' ' TRP . 41.0 t -135.47 102.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.0 t80 -104.94 101.06 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.06 138.19 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.48 157.59 38.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.07 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.01 -57.74 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.8 HD13 ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.6 156.46 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.8 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -100.48 57.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.632 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -107.68 115.8 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.071 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.74 103.45 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.47 ' HB3' HG22 ' A' ' 55' ' ' VAL . 3.4 t -74.66 139.79 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 135.78 -96.36 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.636 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t70 -130.15 163.64 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.745 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -119.62 99.79 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER 172.62 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . 178.24 40.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.071 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -140.04 -3.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.602 ' N ' HD13 ' A' ' 92' ' ' LEU . 1.3 m 43.88 83.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.446 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 1.08 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -58.17 -12.57 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.72 -50.34 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.6 -52.69 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.978 HD11 ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.96 -45.61 83.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.577 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -50.38 -77.71 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.663 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 55.67 -87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.782 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 38.6 t -144.61 141.41 29.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.999 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.58 -107.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.999 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.21 165.12 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.744 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -149.12 109.32 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 1.084 ' CE2' HD12 ' A' ' 135' ' ' LEU . 2.9 m-85 -100.29 163.06 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.677 ' HB2' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -156.51 164.03 38.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.431 ' CZ ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.32 172.25 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.794 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -41.25 109.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.587 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -142.86 -59.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.444 ' HB2' ' HG2' ' A' ' 117' ' ' ARG . 8.1 ptp -65.11 -25.08 67.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.945 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.2 OUTLIER -60.83 -19.85 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.24 -63.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -56.08 164.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.06 -179.75 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -60.23 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 t0 -39.25 -54.37 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.606 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 39.7 tpp -60.86 -48.29 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 1.015 ' O ' HG13 ' A' ' 121' ' ' VAL . 37.8 mtp180 -49.02 -48.71 43.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 121' ' ' VAL . 12.0 mt-10 -63.94 -40.17 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 12.8 mmt85 -64.92 -28.8 69.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -78.28 -40.16 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 1.015 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -67.33 -41.63 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.529 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 20.4 pt20 -67.06 -49.46 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 64.8 m170 -58.18 -43.86 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.703 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -63.51 -54.59 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.647 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -56.65 -23.67 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.451 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . -72.89 -53.34 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.08 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.76 -3.6 58.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.677 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.6 mmt -64.01 175.35 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.667 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.9 OUTLIER -114.71 -39.46 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.39 93.16 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.519 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -152.71 148.56 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.689 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.4 p -95.46 112.73 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.709 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -92.25 151.55 20.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 1.084 HD12 ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -143.36 104.71 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' A' ' 105' ' ' ASP . 2.6 tp -87.43 141.42 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 1.077 HD11 HD13 ' A' ' 135' ' ' LEU . 9.1 mm -120.7 106.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 110' ' ' ILE . 64.0 p -118.16 174.97 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.794 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -142.71 172.56 12.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.1 tt0 -126.12 -78.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.569 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.5 m-85 -25.39 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -26.74 143.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 8.5 pt20 169.97 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.38 46.19 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.947 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -31.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.886 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -89.34 155.21 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.721 ' H ' HD23 ' A' ' 146' ' ' LEU . 7.3 mm-40 -53.3 106.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.97 150.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.01 112.72 3.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.512 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.95 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.518 ' O ' ' C ' ' A' ' 152' ' ' SER . 8.1 t80 -75.88 83.1 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.518 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.5 OUTLIER -28.64 104.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.945 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.1 t -78.33 123.56 85.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.603 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.04 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 5.2 mp0 -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -63.73 -38.48 91.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.615 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.1 t90 -61.58 -56.09 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 107.992 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.748 HD23 ' CE ' ' A' ' 162' ' ' MET . 0.5 OUTLIER -48.28 -47.2 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 163' ' ' SER . 6.9 t-160 -69.09 -21.58 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -80.79 -24.98 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.631 ' CG2' HG21 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -113.4 -60.55 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.748 ' CE ' HD23 ' A' ' 158' ' ' LEU . 6.9 mtt -70.59 5.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -38.95 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.618 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . -87.83 109.66 3.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.825 ' O ' HG22 ' A' ' 201' ' ' VAL . 12.9 m-20 146.79 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.749 ' CD1' ' N ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -146.61 130.89 17.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.5 mt-10 -73.95 84.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.701 HG12 ' HB3' ' A' ' 198' ' ' LEU . 1.5 m -71.33 131.96 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.648 HG22 ' HB ' ' A' ' 197' ' ' VAL . 0.5 OUTLIER -131.92 148.7 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.431 ' HG3' ' NE2' ' A' ' 155' ' ' GLN . 0.6 OUTLIER -76.23 137.22 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.604 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -163.12 170.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 108.84 -157.29 15.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 176' ' ' THR . . . -170.75 161.16 33.97 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.474 ' CB ' ' CG ' ' A' ' 192' ' ' ASP . 0.4 OUTLIER -101.89 160.98 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.68 14.26 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 176' ' ' THR . 14.0 t -110.49 74.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.654 HD21 ' HA3' ' A' ' 183' ' ' GLY . 1.5 tm? -84.5 -34.03 23.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -74.84 47.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 177' ' ' LEU . 3.1 t -139.93 -42.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 163.5 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -91.89 -58.62 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.62 -30.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.818 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.81 -63.03 4.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.08 -15.33 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.69 -61.56 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.578 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -64.85 -34.82 79.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.46 66.39 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.947 ' CD1' HD11 ' A' ' 145' ' ' LEU . 2.5 mm? -86.81 -52.99 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.59 -6.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 23.0 ptt180 175.2 122.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.72 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -175.87 155.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.474 ' CG ' ' CB ' ' A' ' 174' ' ' GLN . 24.1 t0 -80.28 125.86 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' GLY . 56.7 tt0 -109.16 121.6 45.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.435 ' O ' ' OG1' ' A' ' 138' ' ' THR . 53.8 m-70 -110.43 122.72 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.725 HG21 ' OD2' ' A' ' 8' ' ' ASP . 10.8 t -117.04 158.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 8.9 m-85 -146.84 133.21 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 12' ' ' TYR . 11.0 t -104.09 109.53 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.925 HD23 ' N ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.89 113.97 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.8 tt0 -78.8 96.66 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.65 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -61.86 104.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 2.2 pt-20 -140.47 85.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.698 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.3 p -131.53 78.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 9' ' ' LEU . 1.8 m120 39.46 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -39.4 -45.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -62.16 -48.97 77.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.716 HD23 HD23 ' A' ' 135' ' ' LEU . 2.6 tm? -49.78 -65.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.7 pt20 -55.47 -33.81 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.34 -81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CE2' HG21 ' A' ' 171' ' ' VAL . 69.4 m-85 -44.22 -54.25 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.874 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.5 t-105 -48.68 -61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 20.0 m -45.33 -46.83 13.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -26.48 63.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -64.81 -46.42 82.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.74 49.39 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 22' ' ' ALA . 47.5 t -59.39 145.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.028 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.03 149.68 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.81 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 108.18 -1.89 33.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.028 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.57 154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.912 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 33.4 mmt-85 -82.53 122.0 27.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 38' ' ' LEU . 24.3 t -107.55 112.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.845 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.2 tm? -93.14 134.34 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.722 HG22 ' HA3' ' A' ' 47' ' ' GLY . 1.9 m -130.71 98.19 20.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.729 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.03 110.85 3.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.783 HD22 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 38.07 30.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.73 -35.38 79.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.278 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 33.9 61.36 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -108.11 -157.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -157.36 -45.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 32' ' ' SER . 36.7 mm-40 -72.63 -39.2 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.77 -58.18 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 36' ' ' SER . 4.2 ppp? -60.76 -40.46 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.448 ' N ' ' SD ' ' A' ' 35' ' ' MET . 47.8 t -63.51 -35.78 81.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.698 ' HB2' HG21 ' A' ' 5' ' ' VAL . 70.4 t90 -67.94 -51.88 42.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.824 HD13 HG11 ' A' ' 24' ' ' VAL . 7.3 mt -57.69 -67.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -42.61 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.04 91.94 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 32.2 tp60 -79.39 -20.5 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.761 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.95 79.67 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -145.07 165.77 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.604 ' CG ' ' NH1' ' A' ' 23' ' ' ARG . 5.9 m-70 -91.07 81.2 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.022 HG12 HD11 ' A' ' 82' ' ' ILE . 93.3 t -75.68 109.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.901 HG13 HD13 ' A' ' 97' ' ' ILE . 1.4 p -136.33 110.32 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.728 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -149.71 -172.03 18.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.985 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -137.91 168.68 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.593 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.16 125.39 41.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.783 HD23 HD22 ' A' ' 28' ' ' LEU . 1.8 mm? -88.99 65.26 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.849 ' O ' HG13 ' A' ' 55' ' ' VAL . 35.8 t -153.3 107.97 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.41 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.19 -32.49 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.685 ' HB2' ' OG ' ' A' ' 51' ' ' SER . . . -63.58 -49.7 72.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -58.04 -37.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.79 -48.73 73.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 4.6 tpt180 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.409 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 1.8 m-30 -74.85 -36.99 62.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 5.2 m-30 -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 3.8 mm-40 -71.13 -41.6 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -81.22 -36.24 30.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.14 38.63 14.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 13.5 mt-10 69.88 152.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 159.26 -47.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.97 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.43 113.58 26.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.489 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 22.7 mm -103.75 118.6 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.588 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -119.56 148.6 43.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 p -98.58 141.51 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -137.65 85.38 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.87 -99.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.08 35.12 3.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 30.2 m-85 -149.89 173.17 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.573 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.2 OUTLIER -133.67 163.77 28.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 69' ' ' THR . 1.6 m -142.61 112.48 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.694 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.23 104.58 13.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.98 130.4 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.19 156.1 35.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.44 -55.44 0.75 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.022 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -106.95 154.52 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.662 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.07 50.83 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.79 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.77 114.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.985 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.11 105.39 15.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.508 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.85 140.86 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.611 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 131.15 -97.58 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 12.2 t70 -129.64 163.97 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.945 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -128.14 97.64 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.655 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 178.04 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -176.33 42.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.974 HD23 HG21 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -137.94 -34.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.959 ' N ' HD13 ' A' ' 92' ' ' LEU . 2.5 m 78.4 79.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.845 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -56.73 -12.64 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 127' ' ' LEU . 10.4 ttt180 -76.42 -50.63 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.34 -48.6 72.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.974 HG21 HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -66.46 -43.28 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.497 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -56.47 -76.05 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.724 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 2.1 m170 56.93 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.4 p -139.77 137.06 34.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.984 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.16 -109.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -171.53 -177.8 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.666 ' CE2' ' HA3' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -160.98 133.1 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.646 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 70.7 t80 -97.84 116.16 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.551 ' HB3' HD23 ' A' ' 136' ' ' LEU . 2.4 t0 -94.74 146.77 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.576 ' C ' ' HD2' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -106.16 172.67 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.602 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -78.07 87.68 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.447 ' HB2' ' CD ' ' A' ' 106' ' ' ARG . . . -121.09 -38.88 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.18 -27.45 68.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.602 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -73.21 -12.27 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.07 -23.14 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.881 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.8 mp -95.33 166.02 15.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.99 -173.04 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -68.78 -67.66 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -39.61 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.881 ' HG2' HD23 ' A' ' 112' ' ' LEU . 13.8 tpp -52.16 -45.54 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.902 ' O ' HG13 ' A' ' 121' ' ' VAL . 5.6 mtm180 -55.35 -39.28 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.54 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.1 mt-10 -65.43 -48.92 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -67.97 -19.3 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.542 ' OH ' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -77.86 -56.76 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.3 m -60.02 -39.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.529 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.3 pt20 -66.72 -48.13 70.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.0 m170 -54.0 -40.79 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.626 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -65.71 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.68 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 6.1 mm-40 -52.79 -18.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -77.56 -54.99 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -90.61 14.31 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.636 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.3 mmt -79.84 174.71 5.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.724 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.06 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 201' ' ' VAL . 7.6 pt20 -111.37 -37.67 5.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -143.96 94.46 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.559 ' HB2' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -149.09 149.81 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.934 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -92.95 109.75 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.666 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -89.27 149.27 20.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.821 HD13 HG23 ' A' ' 197' ' ' VAL . 6.6 tp -140.2 99.07 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.82 127.16 33.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.752 HD13 HG22 ' A' ' 195' ' ' VAL . 41.4 mm -112.81 106.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.536 ' HB ' HG21 ' A' ' 110' ' ' ILE . 28.1 p -118.08 178.22 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.57 172.21 14.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 141' ' ' TYR . 37.2 tt0 -132.25 -82.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.572 ' C ' ' O ' ' A' ' 140' ' ' GLU . 70.8 t80 -22.32 -73.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.526 ' OD2' HD23 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -31.15 146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 141' ' ' TYR . 11.5 pt20 174.6 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -121.83 52.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -22.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.721 ' HB2' HD21 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -96.27 127.15 42.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.669 ' N ' HD12 ' A' ' 146' ' ' LEU . 55.7 mm-40 -46.38 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.1 129.39 3.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.776 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.489 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 130.39 13.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.38 8.01 12.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.3 p 48.76 55.3 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.829 HG23 HH11 ' A' ' 117' ' ' ARG . 9.8 p -40.63 121.05 1.74 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.514 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.0 121.42 6.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -40.26 -44.28 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -49.96 -43.22 50.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.657 ' CE2' HG11 ' A' ' 161' ' ' VAL . 44.6 t90 -63.15 -51.04 68.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.653 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -54.25 -33.1 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.677 ' O ' ' CB ' ' A' ' 163' ' ' SER . 4.9 t60 -84.62 -17.44 38.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.67 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -82.31 -36.77 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.67 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.1 -60.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.653 ' CB ' ' O ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -56.89 6.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 42.1 t -100.65 107.63 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.564 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.96 59.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 8.6 m-20 151.65 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -145.91 128.85 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 107.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.0 OUTLIER -78.47 94.11 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 198' ' ' LEU . 33.7 m -79.34 131.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.877 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -131.7 137.28 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.43 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.634 ' C ' HG12 ' A' ' 171' ' ' VAL . 22.9 pttt -61.24 141.62 57.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 169' ' ' THR . 0.2 OUTLIER -173.46 168.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 112.92 -165.75 12.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.545 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -149.05 176.59 27.75 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.525 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 26.4 pt20 -114.95 139.54 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . 0.423 ' HA ' ' N ' ' A' ' 191' ' ' MET . 0.8 OUTLIER 64.8 11.85 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 176' ' ' THR . 7.7 t -116.86 73.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.95 HD21 ' H ' ' A' ' 190' ' ' ARG . 0.2 OUTLIER -92.24 -11.42 35.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.573 ' N ' HD12 ' A' ' 177' ' ' LEU . 70.4 m-70 -46.29 -27.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -71.13 -40.87 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -86.97 157.15 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -92.5 -42.24 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -42.18 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -66.93 -50.48 46.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.546 HD22 ' H ' ' A' ' 184' ' ' LEU . 1.1 mm? -73.9 -14.57 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -41.02 28.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.99 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -87.49 -40.01 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.29 66.28 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.99 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.2 OUTLIER -113.57 -31.52 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 6.9 pm0 38.9 39.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.95 ' H ' HD21 ' A' ' 177' ' ' LEU . 0.7 OUTLIER 153.38 112.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.886 ' HG2' HD23 ' A' ' 177' ' ' LEU . 1.8 ptt? -175.48 145.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.9 m-20 -54.28 108.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 173' ' ' GLY . 27.2 tt0 -102.65 105.08 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 138' ' ' THR . 9.6 m-70 -91.95 149.32 21.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.752 HG22 HD13 ' A' ' 137' ' ' ILE . 46.4 t -147.46 146.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 169' ' ' THR . 8.0 m-85 -141.64 117.25 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.877 HG12 HG22 ' A' ' 169' ' ' THR . 2.4 p -83.76 112.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.842 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.98 104.0 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.84 95.65 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -61.9 99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 165' ' ' ASN . 25.7 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -140.55 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.608 HG11 ' HD1' ' A' ' 37' ' ' TRP . 2.4 p -131.74 143.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.496 ' ND2' ' OD2' ' A' ' 8' ' ' ASP . 1.2 t30 -32.54 116.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -57.83 -39.83 78.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.625 ' OD1' HG22 ' A' ' 171' ' ' VAL . 2.9 m-20 -64.31 -46.52 83.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.685 ' C ' HD13 ' A' ' 9' ' ' LEU . 2.2 tm? -53.08 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.2 pt20 -56.43 -28.95 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 3.9 tp-100 -67.76 -81.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.894 ' HE2' HG21 ' A' ' 171' ' ' VAL . 55.4 m-85 -43.97 -54.55 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.075 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 2.3 t-105 -49.45 -55.34 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.9 m -48.41 -36.15 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 6.9 t -88.04 -53.84 4.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.727 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.4 mp -39.2 -42.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 47.18 36.17 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.2 p -47.28 153.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.051 HG23 ' HB2' ' A' ' 22' ' ' ALA . 5.3 m -34.45 144.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 106.64 -3.49 36.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.051 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.63 156.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.903 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 31.4 mmt-85 -81.87 123.85 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.039 HG11 HD13 ' A' ' 38' ' ' LEU . 47.6 t -106.38 114.83 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 1.027 HD23 HD11 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -103.95 139.95 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.818 ' N ' HD13 ' A' ' 25' ' ' LEU . 7.4 m -142.46 106.23 5.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.909 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.93 124.24 8.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 26.3 54.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -110.93 -35.33 5.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.2 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER 58.54 -151.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.263 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.43 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -163.74 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 12.4 mm-40 -73.72 -47.57 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t70 -52.24 -58.59 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.464 ' HG3' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -61.0 -62.48 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.464 ' H ' ' HG3' ' A' ' 35' ' ' MET . 30.4 t -43.68 -32.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.608 ' HD1' HG11 ' A' ' 5' ' ' VAL . 30.7 t90 -69.25 -53.5 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.039 HD13 HG11 ' A' ' 24' ' ' VAL . 4.8 mt -61.04 -66.78 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 -44.76 4.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.67 65.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LEU . 3.8 mm-40 -80.82 -30.81 35.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.64 59.4 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.446 ' HE2' HG13 ' A' ' 18' ' ' VAL . 9.0 m-85 -126.21 171.23 11.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -82.65 80.59 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.91 103.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.894 ' CG2' HD12 ' A' ' 97' ' ' ILE . 1.2 p -135.39 143.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.763 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -179.79 -176.8 47.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.83 168.79 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -129.62 129.58 44.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.887 HD23 HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -97.34 68.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.801 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 55.0 p -152.29 133.42 14.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.15 -47.59 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.41 97.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.801 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -63.22 -35.95 82.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.894 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 4.7 t -61.65 -54.41 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -42.55 84.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -40.86 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.894 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.6 m-30 -69.33 -34.97 75.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.78 -42.43 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.51 -46.11 87.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' CZ ' ' OH ' ' A' ' 77' ' ' TYR . 6.8 mtt-85 -75.85 -38.97 57.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.64 34.84 18.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 77.48 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 158.21 -48.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.0 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -107.56 112.03 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.536 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.52 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 7.4 mm -94.69 131.66 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.61 142.89 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -116.16 92.97 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.575 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -96.64 98.74 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.9 -107.4 1.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -111.95 6.43 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.665 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 14.2 m-30 -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.678 ' HD2' HG11 ' A' ' 55' ' ' VAL . 1.5 ttmp? -107.89 158.31 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.865 HG13 ' HB2' ' A' ' 85' ' ' TRP . 31.4 t -139.82 101.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.6 t80 -103.84 101.43 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.69 139.01 38.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.37 157.48 42.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.4 -57.89 0.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.654 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -107.32 157.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -102.04 55.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.654 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -108.05 121.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.036 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -109.21 105.76 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.508 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.8 t -76.85 138.88 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 139.06 -97.45 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.665 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -134.66 163.67 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 2.2 t80 -118.4 106.73 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 161.86 48.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . . . -141.96 -41.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.045 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.64 -175.62 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.7 m -123.85 89.14 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 1.032 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -52.44 -16.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.16 -48.73 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.75 -45.48 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.027 HD11 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -69.24 -48.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -58.29 -75.89 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.661 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.6 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.64 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.758 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 37.3 t -143.83 137.07 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.034 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.28 -112.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.075 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -167.23 -178.27 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.722 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.1 p90 -162.62 142.84 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.557 ' HE1' HD13 ' A' ' 135' ' ' LEU . 10.6 t80 -105.34 114.78 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 1.015 ' HB3' HD12 ' A' ' 136' ' ' LEU . 6.8 m-20 -93.14 130.33 38.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.551 ' HE ' ' HB3' ' A' ' 107' ' ' ALA . 0.5 OUTLIER -100.6 155.52 17.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 110' ' ' ILE . . . -54.87 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' ARG . . . -121.24 -55.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.933 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.42 -16.5 63.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.656 HD12 ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -71.03 -21.89 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.576 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -78.33 -49.02 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.572 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -66.69 169.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.572 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -74.99 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -75.57 -63.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -39.72 -59.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.686 ' O ' ' HG3' ' A' ' 119' ' ' ARG . 16.0 tpp -55.05 -46.94 75.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.997 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -55.04 -37.28 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 0.4 OUTLIER -65.71 -58.48 5.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -60.32 -17.57 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -79.15 -46.8 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.997 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 13.3 pt20 -67.43 -50.23 60.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.535 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 24.6 m170 -58.15 -42.83 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -63.35 -61.24 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.644 ' HG2' ' CD2' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -54.89 -20.52 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -72.57 -56.49 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.032 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -82.84 -3.23 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.674 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.1 mmt -65.91 175.24 1.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.674 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.1 Cg_endo -74.99 -160.13 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 201' ' ' VAL . 29.0 tp60 -110.85 -44.52 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.63 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -137.62 94.19 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 32.3 m -150.99 149.88 30.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.82 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -97.75 111.12 23.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.722 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -92.07 157.13 24.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.557 HD13 ' HE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -140.0 102.67 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.015 HD12 ' HB3' ' A' ' 105' ' ' ASP . 4.3 tp -82.63 135.42 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.862 HD13 ' HB ' ' A' ' 195' ' ' VAL . 2.5 mm -125.05 110.76 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 29.1 p -119.45 168.91 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.983 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -132.47 157.28 45.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -122.15 -34.32 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -69.84 -83.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.921 ' OD2' HD22 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -31.03 144.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.4 pt20 170.73 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.88 53.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 174.56 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.8 OUTLIER -97.17 131.34 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.994 ' N ' HD12 ' A' ' 146' ' ' LEU . 8.3 pt-20 -48.57 113.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.19 109.49 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.531 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -74.96 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.462 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 159.15 41.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 152' ' ' SER . 26.6 m-85 -117.97 22.0 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 152' ' ' SER . 0.6 OUTLIER 36.14 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.762 HG11 HH11 ' A' ' 117' ' ' ARG . 3.4 t -74.3 122.35 87.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.547 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.95 119.56 5.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 196' ' ' TYR . 6.2 tm0? -42.61 -36.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.547 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.1 t -56.33 -38.76 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.755 ' CH2' ' CG ' ' A' ' 117' ' ' ARG . 44.8 t90 -60.16 -52.65 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 162' ' ' MET . 1.4 mt -53.68 -37.13 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 163' ' ' SER . 3.9 t60 -76.66 -20.41 56.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.563 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.651 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.27 -35.99 27.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.747 HG11 ' CZ2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -113.32 -72.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.7 ' SD ' ' CE2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -39.29 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -48.89 115.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 110.3 75.71 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 15.2 m-20 145.71 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CE2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.84 137.59 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -92.54 94.26 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.602 HG12 HD23 ' A' ' 198' ' ' LEU . 29.5 m -76.77 132.53 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -124.24 124.13 41.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.435 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 124.39 14.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.992 HG22 ' H ' ' A' ' 172' ' ' GLY . 13.6 p -164.06 -172.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.992 ' H ' HG22 ' A' ' 171' ' ' VAL . . . 116.86 -156.1 15.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.41 138.65 5.96 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 176' ' ' THR . 33.5 mt-30 -102.35 158.6 16.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 t0 49.26 21.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 176' ' ' THR . 6.3 t -111.48 74.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.792 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.7 OUTLIER -73.67 -36.53 65.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 55.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 177' ' ' LEU . 69.1 m -156.3 -43.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.44 ' O ' HD22 ' A' ' 184' ' ' LEU . 9.1 t -84.72 109.3 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -48.78 -59.84 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 5.9 mmp_? -39.39 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.809 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.56 -63.79 3.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -60.56 -14.6 20.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -45.15 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.646 ' HB2' HD13 ' A' ' 146' ' ' LEU . . . -82.92 -36.07 25.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.82 65.2 0.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.968 HD13 HD21 ' A' ' 145' ' ' LEU . 2.9 mm? -84.19 -52.61 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.44 ' O ' ' CD ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 76.66 -1.55 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 167.12 116.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.983 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.4 OUTLIER -164.86 150.75 10.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -91.28 126.93 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 138' ' ' THR . 20.5 tt0 -118.17 120.41 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.35 122.7 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.967 ' CG2' HG13 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -119.36 165.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.866 ' HA ' HG12 ' A' ' 171' ' ' VAL . 5.0 m-85 -152.35 132.3 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.605 HG21 ' CG ' ' A' ' 12' ' ' TYR . 2.7 t -85.25 107.87 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.818 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -101.18 105.08 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.57 94.97 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -63.71 100.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.0 84.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.2 p -131.73 78.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.453 ' ND2' ' OG ' ' A' ' 179' ' ' SER . 0.6 OUTLIER 37.52 89.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -41.07 -39.48 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 54.7 m-20 -65.48 -56.06 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.821 HD23 HD23 ' A' ' 135' ' ' LEU . 2.3 tm? -45.39 -65.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -54.44 -34.37 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.07 -79.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' LEU . 72.9 m-85 -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.803 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.66 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 15.1 t -42.69 -36.25 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -81.51 -49.61 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.07 -44.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 25.3 t-20 67.81 44.18 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' VAL . 45.9 t -52.79 134.39 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.039 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.91 147.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.14 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.14 -5.79 27.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.039 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -39.46 155.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.897 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 9.0 mmt85 -81.1 124.14 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.11 HG11 HD13 ' A' ' 38' ' ' LEU . 30.6 t -106.04 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.817 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.8 tm? -107.64 138.23 44.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 25' ' ' LEU . 1.9 m -139.86 102.91 6.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.899 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 124.96 8.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.93 55.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.628 ' CB ' HG23 ' A' ' 26' ' ' VAL . 38.7 t -81.87 -35.38 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.466 ' HA2' ' CD ' ' A' ' 49' ' ' GLU . . . 76.18 24.32 69.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? 70.18 145.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -165.44 168.3 16.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.05 -32.69 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.58 ' CG ' ' CD1' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -60.3 -58.12 9.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.847 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.65 -46.9 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -32.56 74.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.833 ' HB2' HG21 ' A' ' 5' ' ' VAL . 46.3 t90 -65.53 -38.36 89.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.11 HD13 HG11 ' A' ' 24' ' ' VAL . 6.2 mt -65.32 -62.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.3 m -46.71 -38.59 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -29.76 69.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -80.49 -36.35 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.87 68.83 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -133.67 173.54 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -92.36 75.57 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.079 HG12 HD11 ' A' ' 82' ' ' ILE . 85.0 t -68.4 112.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.892 HG21 HD13 ' A' ' 97' ' ' ILE . 1.9 p -142.84 112.89 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.74 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -151.76 -172.01 20.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.072 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -142.65 162.11 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.26 137.66 54.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.717 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -94.81 66.57 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.674 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 38.8 t -152.16 139.77 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -97.93 -64.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.238 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.83 -26.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -68.57 -45.86 70.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.8 HG23 ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.14 -48.02 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 4.3 mt-10 -61.09 -47.28 87.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -61.06 -29.17 69.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.9 m-30 -72.07 -44.67 62.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.8 ' CE2' HG23 ' A' ' 55' ' ' VAL . 1.1 m-30 -65.04 -34.78 79.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -29.96 29.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.2 mm-40 -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -89.25 -32.87 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.78 40.34 96.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -118.03 -42.99 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 65.49 79.7 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.715 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -155.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -65.46 84.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.613 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.9 mm -87.95 127.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.87 151.63 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 m -108.32 107.48 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.55 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.17 -109.21 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.98 28.31 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 46.3 m-85 -142.62 173.44 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -124.73 169.01 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.968 HG13 ' HB2' ' A' ' 85' ' ' TRP . 97.3 t -142.74 97.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.72 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.0 t80 -95.84 100.75 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -110.04 120.8 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.02 155.16 47.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.85 -53.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.079 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -120.41 172.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.694 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -103.36 48.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -107.01 124.16 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.072 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -110.49 105.49 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 1.8 t -74.46 133.91 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.539 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 137.85 -101.18 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.58 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 13.8 p-10 -118.7 163.99 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.717 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -127.04 94.67 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.57 57.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.24 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.984 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -139.17 -34.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.984 ' N ' HD13 ' A' ' 92' ' ' LEU . 1.5 m 73.85 75.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.821 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -55.12 -12.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -75.41 -50.53 15.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -56.48 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.892 HD13 HG21 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -62.5 -36.67 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' ARG . . . -59.84 -78.75 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.622 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.7 t-160 62.72 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.603 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.782 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.9 p -143.89 143.76 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.985 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.02 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -169.47 179.53 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.7 p90 -160.38 139.5 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.58 ' CD1' ' CG ' ' A' ' 34' ' ' ASP . 9.9 t80 -97.9 118.37 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.795 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -97.65 127.05 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.94 8.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.627 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -72.99 87.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -119.72 -36.87 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 1.01 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -64.27 -35.34 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.592 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -69.96 -3.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -100.09 -40.05 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.88 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.5 mp -86.47 164.26 38.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.3 Cg_endo -74.96 -158.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -80.17 -66.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 3.9 t70 -39.8 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.88 ' HG2' HD23 ' A' ' 112' ' ' LEU . 6.7 tpp -51.48 -37.33 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.856 ' CZ ' ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -58.0 -61.34 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.532 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.4 mt-10 -49.72 -39.52 37.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -71.91 -26.42 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.833 ' OH ' HD21 ' A' ' 28' ' ' LEU . 45.4 t80 -77.78 -57.83 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -56.45 -43.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.536 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 8.4 pt20 -65.1 -48.76 72.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 31.6 m170 -57.55 -38.45 74.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.84 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -67.74 -64.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.536 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -50.68 -20.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.71 -54.37 6.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.821 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -87.24 5.6 37.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.84 ' CG ' HD13 ' A' ' 124' ' ' LEU . 3.9 mmt -73.09 174.38 4.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 tt0 -105.04 -45.86 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.69 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.65 97.97 3.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 60.2 m -147.34 156.25 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.841 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.47 107.69 19.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.682 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -88.51 149.96 21.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.923 HD13 HG22 ' A' ' 197' ' ' VAL . 12.4 tp -139.74 102.88 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.025 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -83.78 142.52 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 136' ' ' LEU . 5.1 mm -130.64 95.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.802 HG23 HD23 ' A' ' 136' ' ' LEU . 19.1 p -104.08 170.7 7.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -139.67 177.72 7.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -134.35 -81.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.579 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.9 m-85 -23.28 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -26.22 139.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 0.9 OUTLIER 175.0 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -118.58 47.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.963 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 177.98 -31.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.707 ' N ' HD22 ' A' ' 145' ' ' LEU . 3.9 tp -89.64 130.08 35.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -40.8 110.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.65 131.61 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -75.0 119.39 5.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.98 138.97 23.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -94.34 18.91 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.6 p 38.07 52.84 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.676 ' CG1' HG21 ' A' ' 138' ' ' THR . 9.1 p -37.55 116.42 0.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.873 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.6 Cg_endo -74.91 112.85 3.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -33.33 -44.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.873 HG22 ' HB2' ' A' ' 154' ' ' PRO . 5.0 t -44.48 -39.73 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.769 ' CE2' HG11 ' A' ' 161' ' ' VAL . 66.9 t90 -65.81 -42.18 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.798 HD21 HD22 ' A' ' 136' ' ' LEU . 7.0 mp -57.04 -41.58 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.539 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.5 t-80 -79.47 -18.5 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.682 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -78.67 -37.96 40.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.769 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.76 -70.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -37.92 -29.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 5.8 t -53.78 98.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.13 -58.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.936 ' O ' HG22 ' A' ' 201' ' ' VAL . 26.1 m-80 -134.07 -48.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.763 ' HZ3' HD12 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -77.45 97.98 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -63.06 95.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 198' ' ' LEU . 3.2 m -70.26 126.66 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -123.34 154.09 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -72.26 136.57 46.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.827 HG21 HG23 ' A' ' 197' ' ' VAL . 38.5 t -155.48 159.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.403 ' N ' ' CG1' ' A' ' 171' ' ' VAL . . . 51.09 -150.27 6.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 140.09 -77.92 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 176' ' ' THR . 0.0 OUTLIER -36.24 147.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' A' ' 191' ' ' MET . 5.2 p-10 -67.12 71.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.635 ' HG1' ' CD2' ' A' ' 178' ' ' HIS . 3.1 t -89.33 73.62 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -55.46 -39.8 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.635 ' CD2' ' HG1' ' A' ' 176' ' ' THR . 3.6 p-80 -53.83 -21.87 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.453 ' OG ' ' ND2' ' A' ' 6' ' ' ASN . 8.5 t -69.74 -68.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 85.6 p -81.95 136.65 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -71.65 -29.11 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 1.061 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -64.9 -61.55 5.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.676 HD22 ' H ' ' A' ' 184' ' ' LEU . 1.3 mm? -68.76 -18.46 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.619 ' HB3' HD13 ' A' ' 146' ' ' LEU . . . -81.5 -29.46 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.04 74.34 1.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 1.061 HD23 ' HA2' ' A' ' 183' ' ' GLY . 3.6 mm? -88.96 -52.88 4.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.753 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 80.27 -4.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 2.4 mtt180 159.56 106.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.708 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.37 141.2 24.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.9 OUTLIER -58.59 132.72 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.455 ' HB2' ' CE ' ' A' ' 191' ' ' MET . 49.1 tt0 -129.71 116.01 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -107.23 123.13 47.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 137' ' ' ILE . 32.2 t -113.15 161.67 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.681 ' O ' HD12 ' A' ' 135' ' ' LEU . 19.8 m-85 -151.68 146.7 25.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.923 HG22 HD13 ' A' ' 135' ' ' LEU . 14.0 t -106.34 105.07 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.922 HD23 ' N ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.05 99.61 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.11 95.04 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -63.55 87.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 165' ' ' ASN . 29.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -140.54 86.89 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.712 HG21 ' CB ' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -131.94 78.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 36.58 96.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' CE ' ' HA3' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -46.84 -35.29 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.567 ' CG ' HG21 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -65.41 -48.43 72.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.56 ' C ' HD13 ' A' ' 9' ' ' LEU . 3.1 tm? -55.4 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -55.6 -28.28 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.6 tt0 -67.49 -80.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.876 ' CE2' HG21 ' A' ' 171' ' ' VAL . 51.3 m-85 -44.07 -54.89 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.832 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -49.7 -52.64 29.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.6 m -50.68 -36.74 37.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -88.34 -62.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.7 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.7 mt -34.89 -52.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 45.8 t-20 65.15 39.51 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.527 HG12 ' CB ' ' A' ' 22' ' ' ALA . 80.3 t -41.43 142.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.107 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -39.97 149.47 0.28 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 110.96 -10.02 29.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.107 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.03 156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.92 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 12.1 tpp180 -80.94 117.76 21.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 1.085 HG11 HD13 ' A' ' 38' ' ' LEU . 21.5 t -104.99 102.01 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.809 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 1.9 tm? -87.03 135.18 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.779 HG12 ' HB3' ' A' ' 104' ' ' TYR . 32.3 m -140.35 103.3 6.61 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.725 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 139.36 24.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.725 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 17.36 56.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -82.76 -35.1 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 80.94 24.94 57.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' GLY . 19.4 ttmt 49.1 97.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' A' ' 181' ' ' ALA . 0.5 OUTLIER -117.24 -176.43 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.944 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -52.16 -29.86 24.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CG ' ' CD2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -63.86 -58.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.637 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -53.34 -39.7 64.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -71.31 -31.02 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.712 ' CB ' HG21 ' A' ' 5' ' ' VAL . 17.1 t90 -72.79 -35.07 67.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.085 HD13 HG11 ' A' ' 24' ' ' VAL . 12.0 mt -72.04 -57.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.5 t -53.26 -39.88 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.58 91.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 1.3 mm-40 -70.06 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.83 54.24 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.419 1.074 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -117.72 173.97 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 21' ' ' GLY . 16.5 m170 -93.88 78.72 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.953 HG12 HD11 ' A' ' 82' ' ' ILE . 95.2 t -73.43 119.0 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.945 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -142.93 102.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.717 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -137.16 -172.67 12.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.994 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -134.24 168.76 18.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -128.41 129.64 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.89 71.74 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -152.14 134.32 15.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 56' ' ' GLU . 1.8 mp0 -97.07 -43.22 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.61 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.94 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.66 HG23 ' SG ' ' A' ' 86' ' ' CYS . 1.2 t -65.27 -49.8 76.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -60.21 -44.6 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -58.24 -41.56 84.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -62.61 -43.34 99.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.694 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 3.7 m-30 -74.93 -18.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -81.96 -37.92 25.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 -41.98 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -82.41 -32.4 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 66.92 45.09 86.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.1 mt-10 77.55 144.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.617 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER 156.38 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.98 171.84 17.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 95.75 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.694 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 24.3 mm -97.75 119.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -126.25 143.33 51.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m -84.96 141.76 30.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.51 ' HG3' ' HB2' ' A' ' 91' ' ' ALA . 1.3 mm-40 -143.51 85.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.99 -112.01 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t0 -100.51 37.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 0.723 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CG ' ' HB2' ' A' ' 88' ' ' ASP . 67.8 m-85 -159.0 173.4 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.653 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 ttmt -128.5 169.79 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 76' ' ' VAL . 1.1 m -142.99 110.38 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.713 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -104.75 101.37 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.35 160.95 14.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.09 157.81 72.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.13 9.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.12 -49.05 6.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.953 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -122.22 158.41 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.642 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -100.23 53.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.67 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -106.69 111.03 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.994 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -98.9 100.58 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.976 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.66 ' SG ' HG23 ' A' ' 55' ' ' VAL . 9.1 t -71.56 141.88 50.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.4 -99.25 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.561 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 2.8 t70 -128.2 163.62 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.713 ' HA ' ' CZ3' ' A' ' 85' ' ' TRP . 9.7 t80 -121.6 108.63 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 160.31 47.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . . . -138.1 -44.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.033 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.41 -178.71 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.844 ' O ' HG22 ' A' ' 97' ' ' ILE . 3.9 m -126.38 80.17 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.809 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -44.35 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.1 ttt180 -76.78 -55.39 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.73 -52.18 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.945 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -64.86 -50.73 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -52.18 -78.65 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.1 t-160 71.17 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.774 . . . . 0.0 109.568 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.766 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 56.8 m -145.01 143.16 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.986 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.6 -108.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.832 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -165.65 176.84 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.629 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -152.73 120.6 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.779 ' HB3' HG12 ' A' ' 26' ' ' VAL . 72.2 t80 -100.49 132.92 45.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 4.7 t0 -126.1 155.97 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.6 172.11 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.513 ' HB1' HG12 ' A' ' 110' ' ' ILE . . . -50.92 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -134.44 -66.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.652 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.4 OUTLIER -55.58 -24.94 35.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 150' ' ' PRO . 2.8 pp -59.76 -28.79 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.596 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -73.7 -55.94 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.617 HD13 ' HG3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -63.62 166.34 9.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.601 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 178.11 7.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -57.67 -65.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -38.88 -53.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.617 ' HG3' HD13 ' A' ' 112' ' ' LEU . 37.2 tpp -61.93 -42.62 99.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.916 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -55.72 -42.79 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.667 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.8 mt-10 -65.76 -45.0 84.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 1.0 OUTLIER -65.76 -26.11 67.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.46 ' CE1' ' HE3' ' A' ' 109' ' ' MET . 12.8 t80 -74.73 -53.42 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.8 m -60.07 -47.71 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.513 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 2.5 pt20 -59.61 -47.41 85.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 20.2 m170 -57.14 -37.61 72.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.634 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.737 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -67.79 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.513 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -52.67 -18.22 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.32 -59.86 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.613 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -88.81 19.22 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.737 ' CG ' HD13 ' A' ' 124' ' ' LEU . 1.5 mmt -84.09 177.04 3.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.727 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.2 Cg_endo -75.04 -162.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 201' ' ' VAL . 1.0 OUTLIER -108.92 -47.48 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.766 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -131.88 98.23 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.536 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -155.73 154.25 31.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 108.273 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.777 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.9 p -102.87 110.93 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -90.95 152.84 21.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 196' ' ' TYR . 15.4 tp -141.53 98.62 3.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.811 HD22 HG23 ' A' ' 138' ' ' THR . 0.4 OUTLIER -80.88 133.32 35.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.794 HD13 ' HB ' ' A' ' 195' ' ' VAL . 6.2 mm -121.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.811 HG23 HD22 ' A' ' 136' ' ' LEU . 3.1 p -104.19 158.65 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.909 HD12 HD23 ' A' ' 146' ' ' LEU . 0.3 OUTLIER -89.55 176.7 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 mm-40 -137.08 -111.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' A' ' 140' ' ' GLU . 13.0 t80 -25.25 -62.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.582 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -29.26 144.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.499 ' HA ' ' CD ' ' A' ' 150' ' ' PRO . 7.2 pt20 -179.57 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.467 ' C ' HD12 ' A' ' 145' ' ' LEU . . . -122.77 61.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 171.65 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.909 HD23 HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -83.01 128.25 34.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 146' ' ' LEU . 18.4 mt-10 -43.87 102.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.478 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.29 148.17 22.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.662 ' HB3' HD13 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.93 160.29 40.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 113' ' ' PRO . 6.8 m-85 -115.04 14.16 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 151' ' ' PHE . 99.9 p 35.36 48.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.615 HG11 HG21 ' A' ' 138' ' ' THR . 6.6 p -37.03 111.49 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.1 Cg_endo -75.01 133.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -46.02 -47.42 16.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.3 OUTLIER -48.05 -43.66 30.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.655 ' CE2' HG11 ' A' ' 161' ' ' VAL . 45.8 t90 -62.29 -46.41 88.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -56.63 -40.19 74.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.618 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.4 OUTLIER -77.78 -17.36 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.749 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.84 -38.02 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.749 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.13 -58.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.702 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.74 6.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.68 ' H ' ' C ' ' A' ' 161' ' ' VAL . 32.3 t -103.7 101.24 11.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 155.36 54.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.583 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 4.8 m-20 149.75 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.702 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.76 130.16 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.007 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.3 OUTLIER -86.46 92.7 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 1.048 HG13 HD22 ' A' ' 198' ' ' LEU . 51.0 t -79.21 135.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.937 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.95 134.34 50.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 127.28 28.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 1.005 HG12 ' HA ' ' A' ' 196' ' ' TYR . 11.9 p -164.09 -173.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.958 ' H ' HG22 ' A' ' 171' ' ' VAL . . . 111.9 -150.04 18.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.504 ' HA3' ' CE ' ' A' ' 7' ' ' LYS . . . -163.1 138.75 5.5 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 176' ' ' THR . 0.8 OUTLIER -97.65 162.78 13.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 46.56 24.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 176' ' ' THR . 14.5 t -104.35 74.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.2 tm? -61.59 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.93 -42.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.447 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.0 t -90.59 108.57 19.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' A' ' 32' ' ' SER . . . -45.5 -54.22 7.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -46.2 -26.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.8 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -58.99 -48.08 87.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.484 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.4 OUTLIER -81.95 -20.31 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.803 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.75 53.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.883 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -107.84 -40.24 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.74 1.24 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.883 HD11 ' HB3' ' A' ' 186' ' ' ALA . 1.1 mp -105.2 -16.54 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.514 ' CA ' ' HG ' ' A' ' 177' ' ' LEU . 13.5 pm0 36.36 31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.543 ' N ' ' HG ' ' A' ' 177' ' ' LEU . 0.3 OUTLIER 157.26 105.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.693 ' SD ' HD13 ' A' ' 188' ' ' LEU . 2.5 ptt? -167.29 154.0 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 23.3 t0 -93.65 139.76 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 36.8 tt0 -125.21 118.3 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -102.03 123.19 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.964 ' CG2' HG13 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -122.48 165.91 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 1.005 ' HA ' HG12 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -148.54 144.21 27.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.937 HG12 HG22 ' A' ' 169' ' ' THR . 2.8 p -101.69 107.25 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 1.048 HD22 HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -95.91 133.53 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.521 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -96.68 91.61 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -61.01 95.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.4 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.523 ' HB2' ' CD2' ' A' ' 178' ' ' HIS . 0.0 OUTLIER -140.57 84.51 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.585 HG13 ' OE1' ' A' ' 10' ' ' GLN . 1.5 p -131.72 139.13 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.653 ' OD1' HG21 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -33.24 99.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.11 -30.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.633 ' OD2' HG21 ' A' ' 195' ' ' VAL . 2.3 m-20 -69.03 -61.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.3 tm? -45.28 -58.87 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.585 ' OE1' HG13 ' A' ' 5' ' ' VAL . 10.3 pt20 -57.83 -39.7 78.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 49.5 tt0 -69.76 -76.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 171' ' ' VAL . 55.2 m-85 -43.82 -54.42 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.994 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.6 t-105 -53.63 -50.99 64.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.4 t -53.25 -28.95 30.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 t -86.23 -44.05 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.053 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.582 HD13 ' CB ' ' A' ' 133' ' ' SER . 2.2 mt -54.37 -33.6 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LEU . 51.1 t30 39.4 39.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 19' ' ' VAL . 10.6 p -47.5 155.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.038 HG23 ' HB2' ' A' ' 22' ' ' ALA . 10.8 m -31.63 144.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.99 4.18 56.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.038 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -44.94 159.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.912 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 12.2 mmt85 -81.18 116.98 21.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.964 HG11 ' HG ' ' A' ' 38' ' ' LEU . 91.3 t -103.28 111.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.811 HD12 HD11 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -84.24 152.71 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.995 HG13 ' HB2' ' A' ' 29' ' ' CYS . 2.1 t -139.16 89.79 12.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.04 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 41.73 27.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.995 ' HB2' HG13 ' A' ' 26' ' ' VAL . 90.6 m -100.63 -15.99 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.882 ' O ' HG11 ' A' ' 26' ' ' VAL . . . 57.61 -114.23 5.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 18.4 mttt -111.01 -94.55 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.743 ' HB3' ' HB2' ' A' ' 181' ' ' ALA . 17.4 m 74.71 167.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -36.11 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.86 -58.02 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.855 ' HG2' HG11 ' A' ' 45' ' ' VAL . 2.1 tmt? -53.47 -53.47 51.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 m -56.97 -29.27 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.551 ' HD1' HG11 ' A' ' 5' ' ' VAL . 10.2 t90 -73.67 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.964 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -66.5 -66.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -46.85 56.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.18 -17.3 16.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -96.04 -38.33 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.97 59.99 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.483 ' HE2' HG13 ' A' ' 18' ' ' VAL . 15.0 m-85 -129.61 164.32 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.433 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -80.43 83.32 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.855 HG11 ' HG2' ' A' ' 35' ' ' MET . 97.7 t -72.38 117.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.828 ' CG2' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -145.91 144.09 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.718 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 174.37 -177.35 46.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -123.97 157.76 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.482 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.91 97.56 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.963 HD21 ' HB3' ' A' ' 89' ' ' PHE . 1.5 mm? -69.43 75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -152.09 133.25 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -98.1 -53.45 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -34.99 78.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -70.31 -35.82 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 ' SG ' ' A' ' 86' ' ' CYS . 0.9 OUTLIER -62.04 -51.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.48 -43.34 97.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -37.12 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.404 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 1.7 m-30 -64.15 -44.03 93.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 55' ' ' VAL . 7.0 m-30 -71.21 -28.72 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -37.54 47.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.98 -45.27 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 29.8 mtt85 -77.58 -33.35 53.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.92 38.69 48.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 2.1 mt-10 74.21 146.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.9 OUTLIER 162.54 -48.77 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.91 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 110.77 23.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 77' ' ' TYR . 7.2 mm -106.6 123.16 61.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.741 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -124.47 151.0 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.8 m -107.49 101.43 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.534 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -89.56 85.42 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.62 -90.86 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.31 -13.89 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.2 m-85 -98.4 173.03 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.545 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.3 tttt -127.65 158.44 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.779 HG23 ' CB ' ' A' ' 85' ' ' TRP . 0.1 OUTLIER -142.28 107.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.03 102.91 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.51 142.87 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.36 155.93 49.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.34 3.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.09 -55.19 0.77 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.821 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -110.84 161.59 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.683 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -104.04 52.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.5 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -104.65 122.69 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.843 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -111.33 105.61 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.592 ' SG ' HG23 ' A' ' 55' ' ' VAL . 3.7 t -71.28 137.83 48.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.549 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 139.83 -105.22 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -133.11 164.22 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.963 ' HB3' HD21 ' A' ' 50' ' ' LEU . 1.9 t80 -114.53 102.58 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.817 ' CZ ' ' CE1' ' A' ' 123' ' ' HIS . 0.2 OUTLIER 169.3 56.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -154.68 -45.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.973 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.01 176.9 7.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 1.001 HG22 ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -111.48 86.8 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 1.033 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -51.18 -21.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 1.001 ' HG3' HG22 ' A' ' 93' ' ' THR . 5.7 ptm180 -81.2 -38.4 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.503 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 36.8 t0 -71.85 -36.48 70.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.828 HD12 ' CG2' ' A' ' 46' ' ' VAL . 1.7 pt -79.62 -53.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.575 ' HA3' ' HG3' ' A' ' 129' ' ' PRO . . . -54.62 -61.8 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.599 ' N ' ' HG3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 43.59 -90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.617 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.863 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 1.4 p -130.01 128.31 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.999 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 153.8 -111.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.994 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -173.38 -171.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.794 ' CE1' ' CA ' ' A' ' 134' ' ' GLY . 8.1 p90 -167.33 144.59 4.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.644 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 74.9 t80 -100.01 114.99 28.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.626 ' CG ' HD12 ' A' ' 136' ' ' LEU . 6.4 t0 -101.56 134.45 44.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 ttm180 -101.31 172.01 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.97 ' HB2' ' HA ' ' A' ' 138' ' ' THR . . . -70.79 93.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' HD23 ' A' ' 112' ' ' LEU . . . -118.48 -37.31 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.693 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.08 -28.65 68.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.679 HG22 ' HB ' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -71.45 -11.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.42 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -94.29 -51.37 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.584 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -76.1 167.18 38.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.99 160.51 40.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -46.96 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.5 m-20 -39.12 -52.59 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.58 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 28.5 tpp -60.33 -43.27 96.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.852 ' O ' HG13 ' A' ' 121' ' ' VAL . 14.0 mtt180 -56.25 -48.62 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.598 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.9 mt-10 -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -69.35 -22.08 63.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -79.59 -50.04 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -63.77 -38.39 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -69.31 -50.19 48.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.817 ' CE1' ' CZ ' ' A' ' 90' ' ' PHE . 36.4 t60 -58.26 -42.8 87.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.666 HD12 ' CZ3' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -59.47 -65.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -54.23 -20.39 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -68.83 -56.68 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 1.033 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.01 13.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.934 ' HE1' ' HB1' ' A' ' 94' ' ' ALA . 8.2 mmt -85.81 159.72 54.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.599 ' HG3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.02 -95.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.605 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -178.35 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.863 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -119.67 104.27 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.697 ' O ' ' CB ' ' A' ' 200' ' ' ARG . 1.2 m -173.15 129.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.903 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -83.89 107.39 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.794 ' CA ' ' CE1' ' A' ' 103' ' ' PHE . . . -86.26 134.69 12.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 1.083 HD13 HD11 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -130.21 98.52 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.059 ' O ' HD13 ' A' ' 137' ' ' ILE . 1.6 tp -83.16 143.47 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 1.083 HD11 HD13 ' A' ' 135' ' ' LEU . 5.9 mm -131.89 92.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.97 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 6.7 p -97.84 -178.89 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.46 ' CB ' ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -146.05 165.09 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.6 OUTLIER -127.9 -79.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.539 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.4 OUTLIER -25.75 -66.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.868 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.41 142.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.8 OUTLIER 174.06 -32.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.62 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.44 52.41 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.016 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 174.78 -29.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -88.27 115.82 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.72 ' N ' HD12 ' A' ' 146' ' ' LEU . 41.6 mm-40 -39.42 102.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.2 133.14 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.46 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.2 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -83.63 18.17 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 153' ' ' VAL . 10.2 p 35.82 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.97 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.679 ' HB ' HG22 ' A' ' 110' ' ' ILE . 9.8 p -34.51 121.95 0.55 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.74 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -74.95 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -40.31 -42.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.74 HG22 ' HB2' ' A' ' 154' ' ' PRO . 9.0 t -52.67 -35.0 54.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.616 ' CE2' HG11 ' A' ' 161' ' ' VAL . 84.4 t90 -62.45 -58.73 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.519 HD21 ' CE ' ' A' ' 109' ' ' MET . 1.9 mt -49.39 -40.21 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.564 ' O ' ' CB ' ' A' ' 163' ' ' SER . 53.0 t-80 -72.29 -23.14 61.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.599 ' CG ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.93 -33.99 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.642 HG22 ' N ' ' A' ' 162' ' ' MET . 0.2 OUTLIER -114.23 -72.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.642 ' N ' HG22 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -38.46 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 10.9 t -53.86 88.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 162.9 105.34 0.19 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.653 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 10.1 t-20 96.23 -19.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.666 ' CZ3' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -146.32 130.99 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 107.974 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.0 mt-10 -92.0 91.79 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.813 HG12 ' HB3' ' A' ' 198' ' ' LEU . 2.5 m -68.18 133.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.898 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -125.79 113.22 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 140.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 1.009 HG11 HG23 ' A' ' 197' ' ' VAL . 0.3 OUTLIER -172.3 171.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.603 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 114.18 -167.82 12.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -167.34 -173.28 35.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 0.6 OUTLIER -113.7 154.5 27.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 70.95 17.17 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.974 HG23 ' HB3' ' A' ' 193' ' ' GLU . 2.4 t -116.86 74.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.956 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -82.13 -35.73 28.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.949 ' CD2' HD21 ' A' ' 184' ' ' LEU . 0.1 OUTLIER -49.88 -46.06 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 178' ' ' HIS . 4.5 m -31.72 -56.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.452 ' N ' ' OE2' ' A' ' 193' ' ' GLU . 32.8 t -85.21 151.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.743 ' HB2' ' HB3' ' A' ' 32' ' ' SER . . . -85.03 -60.47 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 106' ' ' ARG . 0.6 OUTLIER -39.41 -36.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -58.1 -56.28 26.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.949 HD21 ' CD2' ' A' ' 178' ' ' HIS . 3.3 mt -57.75 -32.06 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.8 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -70.64 -31.11 67.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -87.02 -39.17 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.406 ' O ' HD23 ' A' ' 145' ' ' LEU . . . 101.3 66.25 0.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 1.016 HD13 HD21 ' A' ' 145' ' ' LEU . 3.7 mm? -92.24 -16.06 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 188' ' ' LEU . 6.0 pt-20 29.83 70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.949 ' H ' HD12 ' A' ' 177' ' ' LEU . 0.0 OUTLIER 70.71 99.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.694 ' HG3' ' HB3' ' A' ' 188' ' ' LEU . 4.1 mmt -147.95 155.49 41.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 t0 -48.88 114.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.974 ' HB3' HG23 ' A' ' 176' ' ' THR . 1.0 OUTLIER -121.66 121.6 37.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -93.1 150.44 20.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.748 ' C ' HG13 ' A' ' 171' ' ' VAL . 75.4 t -141.18 151.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.811 ' CZ ' HG23 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -146.32 125.2 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 1.009 HG23 HG11 ' A' ' 171' ' ' VAL . 51.9 t -97.21 93.3 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.813 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -96.51 109.63 22.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.574 ' O ' HG13 ' A' ' 201' ' ' VAL . 0.8 OUTLIER -79.21 98.93 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.887 ' CZ ' ' SD ' ' A' ' 128' ' ' MET . 11.2 ttm180 -62.97 98.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.8 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -137.89 84.9 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -131.64 78.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.583 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 32.05 97.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.95 -34.74 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -67.42 -51.61 49.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.749 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.7 tm? -49.99 -64.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.0 pt20 -57.57 -34.49 69.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.4 tt0 -68.81 -79.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 171' ' ' VAL . 48.6 m-85 -43.81 -54.6 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.969 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.1 t-105 -51.05 -55.33 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -45.83 -40.06 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -79.23 -49.66 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -39.25 -51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.0 t-20 67.31 39.55 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG12 ' CB ' ' A' ' 22' ' ' ALA . 75.2 t -50.79 142.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.137 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.75 150.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.73 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 107.86 -6.22 35.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.137 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -36.67 155.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.892 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 21.1 mmt-85 -81.41 114.6 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.553 HG13 ' HH2' ' A' ' 13' ' ' TRP . 12.0 t -105.76 108.77 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.742 HD23 ' HB2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.55 154.01 18.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 104' ' ' TYR . 31.4 m -151.86 103.22 2.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 1.027 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 128.09 11.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.027 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 35.58 35.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 23.2 t -127.12 33.08 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -32.4 -41.68 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' GLY . 3.3 tttp 41.38 -163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' MET . 0.3 OUTLIER -152.59 -44.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.551 HE22 ' HB2' ' A' ' 181' ' ' ALA . 1.4 mp0 -73.18 -38.66 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.7 t70 -62.52 -58.35 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.474 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 m -67.62 -36.02 80.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.58 ' HB2' HG21 ' A' ' 5' ' ' VAL . 44.4 t90 -68.25 -48.38 65.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 35' ' ' MET . 8.2 mt -59.73 -63.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -43.73 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.96 -28.86 71.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 38' ' ' LEU . 2.1 tp60 -83.06 -30.0 28.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 102.4 71.3 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -142.52 170.44 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.1 97.68 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.844 HG12 HD11 ' A' ' 82' ' ' ILE . 21.3 t -88.32 99.5 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.4 p -136.12 106.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -136.29 -177.48 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 1.133 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -135.39 156.73 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -120.61 130.78 54.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -102.7 67.8 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.944 ' O ' HG13 ' A' ' 55' ' ' VAL . 44.0 m -153.5 95.49 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -58.39 -59.23 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.53 -38.68 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -59.1 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -57.09 -34.35 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-10 -64.14 -45.79 86.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 2.8 m-30 -73.03 -37.47 66.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 6.1 m-30 -76.04 -29.35 58.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.73 -35.46 33.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.86 -41.69 61.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 16.2 mtt85 -82.53 -34.93 27.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.84 37.26 26.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.7 mt-10 73.52 150.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.1 mt-30 161.97 -48.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.547 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.75 112.49 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.681 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 37.9 mm -107.19 121.14 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.639 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -123.82 147.42 47.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -104.73 104.47 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.454 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -92.23 85.61 5.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.61 -91.29 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.74 -6.7 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 21.4 m-85 -104.03 173.35 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.549 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.6 tttt -128.24 160.17 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 69' ' ' THR . 1.8 m -142.87 109.2 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.699 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -107.68 101.02 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.83 143.89 29.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.07 155.26 43.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 4.72 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.41 -47.0 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.844 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -132.99 172.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.235 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.711 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -100.94 51.49 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.521 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -106.4 114.04 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 1.133 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -101.26 102.31 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.629 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -70.54 140.01 51.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.752 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 137.27 -99.01 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -138.24 163.39 31.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 0.799 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.811 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 1.3 t80 -109.55 106.52 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.1 OUTLIER 178.0 45.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 176.87 59.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -143.73 -32.04 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.988 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 65.29 74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.687 ' O ' ' HA3' ' A' ' 98' ' ' GLY . . . -55.96 -12.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.988 ' HG2' HG22 ' A' ' 93' ' ' THR . 16.1 ptt180 -79.84 -49.44 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.227 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 5.9 t0 -69.47 -51.13 38.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.917 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -71.65 -34.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.687 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -65.73 -76.31 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.788 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.02 -84.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.571 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.792 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 32.1 p -143.33 141.37 30.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.915 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.12 -106.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.969 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -171.41 172.23 5.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.742 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 p90 -155.89 117.54 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 1.051 ' CZ ' HD13 ' A' ' 137' ' ' ILE . 3.7 t80 -91.18 144.28 25.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' OD1' ' CG ' ' A' ' 27' ' ' PRO . 3.0 m-20 -128.11 140.31 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -104.82 172.25 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.976 ' CB ' HD11 ' A' ' 139' ' ' LEU . . . -49.65 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.84 -48.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.888 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.88 -22.17 65.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 1.029 HG22 HG23 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -72.36 -3.87 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -126.28 20.26 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.957 HD23 ' CG ' ' A' ' 116' ' ' MET . 1.2 mp -129.45 148.55 69.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.621 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 154.81 42.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -41.19 -66.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 114' ' ' ALA . 15.1 t70 -39.32 -48.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.957 ' CG ' HD23 ' A' ' 112' ' ' LEU . 9.6 tpp -69.37 -33.97 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.925 ' O ' HG13 ' A' ' 121' ' ' VAL . 2.4 mmp_? -57.61 -52.64 64.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.718 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.3 mt-10 -64.94 -48.86 72.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.66 -24.26 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.573 ' OH ' HD21 ' A' ' 28' ' ' LEU . 37.9 t80 -81.71 -60.27 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -56.43 -33.36 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 6.7 pt20 -74.9 -49.57 19.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.537 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 19.7 t60 -58.22 -34.76 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.733 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -69.36 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.549 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.2 OUTLIER -51.66 -20.49 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.708 HD12 ' C ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -82.01 1.72 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.761 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.0 mmt -64.49 178.85 0.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.788 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.01 -99.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 201' ' ' VAL . 2.8 mt-30 174.47 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.792 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -123.7 83.25 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 1.7 p -151.61 170.82 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.783 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -115.6 110.67 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.695 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -87.63 138.59 15.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.724 HD13 HG23 ' A' ' 197' ' ' VAL . 6.5 tp -128.12 100.17 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.888 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -87.46 140.73 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 1.051 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 3.0 mp -135.12 114.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.602 ' HB ' HG21 ' A' ' 110' ' ' ILE . 29.5 p -120.1 -174.34 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.976 HD11 ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -134.58 -86.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -21.11 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.663 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -29.54 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 12.6 pt20 167.85 -28.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.73 47.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.002 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 176.03 -30.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 145' ' ' LEU . 1.8 tp -89.02 120.53 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.7 101.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 95.67 122.46 3.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.07 125.26 9.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -85.59 30.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 151' ' ' PHE . 1.7 p 26.24 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 1.029 HG23 HG22 ' A' ' 110' ' ' ILE . 1.7 t -62.73 127.24 90.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.756 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -74.97 111.99 3.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.645 ' HG2' ' CE1' ' A' ' 196' ' ' TYR . 1.3 mt-30 -39.64 -30.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.756 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -65.51 -37.57 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.607 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 9.7 t90 -63.66 -43.26 97.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.803 HD21 HD13 ' A' ' 136' ' ' LEU . 2.3 mp -61.2 -57.36 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.7 t-80 -62.04 -17.16 56.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.519 ' HG2' ' N ' ' A' ' 161' ' ' VAL . 10.6 ttm180 -78.92 -60.47 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.718 HG21 ' HG2' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -96.16 -49.71 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.656 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -58.92 5.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.643 ' H ' ' C ' ' A' ' 161' ' ' VAL . 48.0 t -108.82 97.08 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 171.68 46.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.6 m120 149.88 -14.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.656 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.72 120.77 10.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.578 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.9 mt-10 -74.57 89.51 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.75 HG12 ' HB3' ' A' ' 198' ' ' LEU . 2.7 m -74.26 126.02 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.922 HG22 HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -120.74 145.37 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 196' ' ' TYR . 10.2 pttt -69.43 141.59 54.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.67 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -170.69 167.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.563 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.03 -159.05 16.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.604 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 178.14 179.61 48.2 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.589 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 18.5 pt20 -109.52 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.13 10.84 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 176' ' ' THR . 10.2 t -116.56 74.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -70.2 -39.22 75.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.418 ' N ' HD12 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -53.47 -19.61 3.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.6 p -57.56 -27.08 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.42 160.99 33.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.551 ' HB2' HE22 ' A' ' 33' ' ' GLN . . . -86.8 -29.64 22.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -20.3 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 1.044 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -61.39 -54.07 39.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.68 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.6 OUTLIER -83.1 -15.98 48.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -38.09 70.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.591 ' CB ' HD13 ' A' ' 146' ' ' LEU . . . -106.52 -31.94 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.8 73.47 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 1.044 HD23 ' HA2' ' A' ' 183' ' ' GLY . 3.8 mm? -86.22 -51.11 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.401 0.707 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 15.5 mm-40 76.56 -3.37 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 159.05 102.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.464 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -145.61 155.23 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -81.01 128.75 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.604 ' O ' ' O ' ' A' ' 173' ' ' GLY . 1.0 OUTLIER -120.43 116.88 26.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -91.99 155.78 17.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.59 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.864 HG22 HG13 ' A' ' 137' ' ' ILE . 55.1 t -146.25 148.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.729 ' O ' HD23 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -141.32 114.6 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.922 HG12 HG22 ' A' ' 169' ' ' THR . 6.0 p -88.3 98.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.75 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -100.24 126.12 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.1 tt0 -92.6 104.73 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.671 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -68.81 98.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.5 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -140.4 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.6 p -131.69 78.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.534 ' C ' ' O ' ' A' ' 5' ' ' VAL . 14.0 t30 28.9 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.71 -36.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.536 ' OD2' HG21 ' A' ' 195' ' ' VAL . 1.3 m-20 -64.72 -53.4 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.605 HD23 ' CE1' ' A' ' 104' ' ' TYR . 3.2 tm? -50.63 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 14' ' ' SER . 15.6 pt20 -53.83 -34.39 59.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.3 tp60 -70.54 -76.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.524 ' CE2' HG21 ' A' ' 171' ' ' VAL . 25.7 m-85 -43.83 -52.39 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.941 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 3.7 t-105 -55.06 -50.95 67.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -51.46 -31.94 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -55.08 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.35 -42.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 45.67 32.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.506 HG13 ' HE2' ' A' ' 43' ' ' TYR . 10.9 p -44.37 154.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 1.115 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -32.78 143.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.32 2.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 43' ' ' TYR . . . 103.76 0.98 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.115 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -41.13 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.964 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.2 mmt85 -81.94 113.39 19.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.842 HG11 ' CD2' ' A' ' 38' ' ' LEU . 5.0 t -104.46 113.28 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.953 HD22 ' HE1' ' A' ' 128' ' ' MET . 0.1 OUTLIER -93.05 153.46 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.867 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -139.88 91.13 10.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.955 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.977 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 31.8 68.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.779 ' CB ' HG23 ' A' ' 26' ' ' VAL . 4.5 t -117.64 -33.74 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.86 -100.89 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.432 1.083 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HE3' ' CZ ' ' A' ' 58' ' ' TYR . 8.4 pttp -179.41 130.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.9 -153.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 1.1 mp0 -71.54 -20.63 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -65.48 -57.91 7.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.468 ' C ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -69.25 -35.6 76.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -67.91 -28.79 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CE3' HD12 ' A' ' 38' ' ' LEU . 9.4 t90 -77.7 -42.33 34.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.842 ' CD2' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -56.75 -64.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -58.66 -51.91 67.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.89 -17.91 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -94.08 -37.46 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.75 60.38 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.506 ' HE2' HG13 ' A' ' 18' ' ' VAL . 20.8 m-85 -138.97 165.79 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.412 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -81.68 99.92 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.799 HG12 HD11 ' A' ' 82' ' ' ILE . 42.8 t -93.38 97.09 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.931 HG13 HD12 ' A' ' 97' ' ' ILE . 2.3 p -132.47 117.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.867 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -153.93 -172.67 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.905 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -145.75 167.18 23.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -122.35 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.692 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 2.2 mm? -96.03 63.45 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.686 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 37.8 m -151.99 143.39 23.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -98.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.06 -23.66 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -70.38 -46.56 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -61.25 -48.78 87.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 mt-10 -60.48 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -64.13 -26.33 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.554 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -73.2 -44.25 60.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.26 -32.13 71.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -39.08 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 57' ' ' ARG . 6.6 mm-40 -61.72 -45.96 91.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB3' ' HG2' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -84.37 -38.5 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.8 42.77 44.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 66' ' ' PRO . 3.2 pt-20 -147.13 62.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.3 pt20 -32.49 93.49 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.666 ' HG2' ' CD2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.0 -154.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -65.55 78.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.662 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 48.1 mm -92.18 117.44 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.658 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -126.71 143.18 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.379 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 24.9 t -99.73 117.23 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.506 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -106.74 85.54 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.78 -97.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t0 -113.31 27.85 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 88' ' ' ASP . 19.7 m-85 -140.62 172.76 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.9 tttp -129.31 161.06 31.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.658 HG13 HG22 ' A' ' 69' ' ' THR . 1.3 m -142.09 106.33 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.818 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -102.23 101.55 11.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.72 156.6 40.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.05 -64.41 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.799 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -99.03 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.678 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -109.79 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.574 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -107.03 119.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.905 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -109.42 109.64 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 77' ' ' TYR . 1.6 t -75.09 141.85 43.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.47 -94.22 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.657 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 3.9 t70 -135.39 161.83 34.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.863 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -137.52 128.76 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.699 ' HB3' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 168.57 -22.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.417 ' N ' ' CD1' ' A' ' 90' ' ' PHE . . . -109.24 59.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -146.09 -28.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.94 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 70.17 90.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.898 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -58.7 -14.25 8.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.94 ' HG2' HG22 ' A' ' 93' ' ' THR . 19.1 ptt180 -83.07 -43.4 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.88 -45.9 91.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.931 HD12 HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -78.71 -51.09 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -53.43 -72.8 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.696 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 8.0 t-80 55.53 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 30.2 p -143.98 132.1 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.979 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 149.32 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.941 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -166.94 -178.36 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.721 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.8 p90 -162.91 127.01 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.605 ' CE1' HD23 ' A' ' 9' ' ' LEU . 8.3 t80 -93.23 113.29 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 106' ' ' ARG . 49.0 t0 -99.16 134.16 42.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -96.12 172.15 8.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.963 ' HB1' HD11 ' A' ' 110' ' ' ILE . . . -67.45 94.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -126.25 -38.36 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.571 ' HB2' ' NH2' ' A' ' 117' ' ' ARG . 7.7 mmt -63.73 -37.9 89.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.963 HD11 ' HB1' ' A' ' 107' ' ' ALA . 9.8 pt -65.34 -12.02 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -88.93 7.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -140.42 166.78 20.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -74.97 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.64 -63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 38.3 t0 -39.67 -61.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.553 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 18.2 tpp -54.9 -39.84 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.772 ' CZ ' HG21 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -55.52 -55.87 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 4.5 mt-10 -65.58 -23.35 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.6 OUTLIER -69.59 -55.49 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 2.3 t80 -72.51 -34.53 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.726 HG22 ' CE ' ' A' ' 162' ' ' MET . 1.2 t -60.33 -58.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.61 ' N ' HG12 ' A' ' 121' ' ' VAL . 12.2 pt20 -58.55 -49.47 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.445 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 3.5 m170 -55.08 -36.56 65.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.664 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -67.43 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.518 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 1.5 pp20? -51.27 -19.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.57 -52.24 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.5 -4.82 59.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.953 ' HE1' HD22 ' A' ' 25' ' ' LEU . 5.6 mmt -60.53 174.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.696 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.04 -165.11 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -101.3 -49.36 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.675 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.28 97.54 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 35.9 m -150.29 154.7 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 108.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.785 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -97.73 107.72 20.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.68 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.69 146.28 18.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.64 108.16 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.596 HD12 HD21 ' A' ' 198' ' ' LEU . 0.4 OUTLIER -89.7 136.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.528 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 13.0 mm -118.79 93.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.551 HG23 HD22 ' A' ' 136' ' ' LEU . 34.5 p -105.19 174.0 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.985 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -141.87 179.11 7.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' TYR . 5.7 mt-10 -136.3 -73.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.498 ' O ' ' C ' ' A' ' 142' ' ' ASP . 68.8 t80 -32.43 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.7 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.4 OUTLIER -31.98 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.8 pt20 164.87 -21.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -132.67 48.73 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.867 HD21 ' CG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 178.21 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.748 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -86.28 166.07 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.438 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -64.68 110.26 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.63 142.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.08 119.72 5.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.538 ' HB3' HD12 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.94 132.7 15.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.3 OUTLIER -78.81 13.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' PHE . 11.9 p 35.83 54.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.772 HG21 ' CZ ' ' A' ' 117' ' ' ARG . 11.8 p -46.72 122.29 7.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.782 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.6 Cg_endo -74.95 129.08 12.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.623 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 20.5 tp60 -43.6 -39.55 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.782 HG22 ' HB2' ' A' ' 154' ' ' PRO . 10.2 t -56.48 -31.67 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.664 ' CZ3' ' NH1' ' A' ' 117' ' ' ARG . 36.9 t90 -66.55 -55.78 13.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.5 mt -55.83 -28.08 54.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.688 ' O ' ' CB ' ' A' ' 163' ' ' SER . 27.7 t-80 -84.59 -21.06 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.645 ' CG ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -84.21 -34.44 23.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.16 -63.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.726 ' CE ' HG22 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -56.23 6.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.688 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 41.7 t -99.01 95.31 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 154.09 51.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.097 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 201' ' ' VAL . 3.5 m-20 155.09 -24.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.2 116.09 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 107.984 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.94 99.11 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.872 HG13 ' HG ' ' A' ' 198' ' ' LEU . 0.4 OUTLIER -87.6 131.74 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.867 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -123.9 145.06 49.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -68.48 134.09 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -160.74 165.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 95.41 -143.72 16.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.19 -165.78 33.91 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.1 pp0? -110.6 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 0.6 OUTLIER 74.93 6.19 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 176' ' ' THR . 10.3 t -115.68 74.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 1.067 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -83.43 -34.34 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.473 ' N ' HD13 ' A' ' 177' ' ' LEU . 4.5 p80 -58.39 -42.35 86.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.642 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -65.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 191' ' ' MET . 26.1 t -72.96 121.18 19.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.08 91.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.4 ' NH2' ' NZ ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -46.4 -41.05 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.542 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -58.75 -62.78 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.87 -36.23 16.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . 0.4 ' NZ ' ' NH2' ' A' ' 182' ' ' ARG . 3.0 tttp -59.16 -53.76 54.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -68.48 -40.04 81.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.11 76.84 1.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.867 ' CG ' HD21 ' A' ' 145' ' ' LEU . 2.0 mp -111.53 -22.03 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 177' ' ' LEU . 16.0 pt-20 37.21 30.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 189' ' ' GLU . 0.2 OUTLIER 159.7 96.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.985 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -150.69 153.67 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 5.3 m-20 -83.97 122.12 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 173' ' ' GLY . 23.4 tt0 -114.43 114.3 25.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -99.54 123.05 43.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.654 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.567 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 42.6 t -112.44 150.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.664 ' HB3' HG12 ' A' ' 168' ' ' VAL . 14.2 m-85 -143.02 117.64 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.867 HG12 HG22 ' A' ' 169' ' ' THR . 2.3 p -84.83 100.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.872 ' HG ' HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -99.28 96.61 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 100.58 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.579 ' CD ' ' HB3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -66.51 105.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' ASN . 16.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.47 84.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -131.1 78.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.517 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 7.2 t30 32.94 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.38 -35.0 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' TYR . 12.1 m-20 -65.89 -50.27 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 9' ' ' LEU . 3.3 tm? -53.49 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 14' ' ' SER . 5.4 pt20 -56.33 -31.17 63.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 6.7 tp60 -73.26 -77.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.899 ' CE1' HG21 ' A' ' 197' ' ' VAL . 27.3 m-85 -43.89 -47.03 8.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.108 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.4 t-105 -61.59 -49.11 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -51.14 -42.7 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . 3.2 m -79.13 -48.12 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -42.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 61.92 57.47 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 90.9 t -70.6 139.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.891 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.1 p -42.69 145.42 0.86 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.82 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 45.63 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.52 33.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.059 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -90.88 157.88 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.896 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.6 mmt85 -90.82 127.34 36.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.735 HG13 ' HH2' ' A' ' 13' ' ' TRP . 11.4 t -107.21 105.65 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.967 HD23 HD11 ' A' ' 97' ' ' ILE . 1.7 tm? -86.3 134.03 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.618 ' HB ' ' CB ' ' A' ' 29' ' ' CYS . 11.1 m -136.08 106.04 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 134.08 17.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.75 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 33.95 36.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.618 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 1.9 t -90.37 -35.01 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.5 ' HA2' HD12 ' A' ' 84' ' ' ILE . . . 64.2 -102.04 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -133.72 155.07 50.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.64 171.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -55.1 -32.55 62.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.48 -57.33 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.866 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -53.92 -51.65 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -58.6 -36.51 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.679 ' HB2' HG21 ' A' ' 5' ' ' VAL . 73.4 t90 -61.16 -48.18 82.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 35' ' ' MET . 6.6 mt -60.77 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 -34.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.47 -38.26 58.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' LEU . 21.2 mm-40 -74.57 -27.77 60.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.88 68.38 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -131.79 172.93 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.32 86.57 5.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.908 HG12 HD11 ' A' ' 82' ' ' ILE . 86.6 t -78.14 114.08 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.905 ' CG2' HD12 ' A' ' 97' ' ' ILE . 2.8 p -141.95 119.94 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.698 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -156.66 -172.45 23.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.989 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.45 164.04 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -123.2 131.79 53.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.851 HD21 ' HB3' ' A' ' 89' ' ' PHE . 1.5 mm? -99.54 73.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.783 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.58 135.79 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -98.36 -46.85 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.17 87.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -64.98 -33.94 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.604 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -64.8 -51.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.97 -42.6 98.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -62.08 -38.14 87.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -65.38 -41.72 93.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 3.8 m-30 -72.58 -26.68 61.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.15 -37.55 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -82.45 -34.83 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.55 36.85 28.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.4 mt-10 76.24 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 165.67 -51.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.07 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.02 106.83 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.427 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 14.1 mm -100.79 128.47 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.666 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.15 153.71 46.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.8 p -112.78 99.13 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.5 mm-40 -89.62 85.34 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.41 -91.66 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.09 -8.66 12.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 40.2 m-85 -102.8 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.569 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 7.9 tttt -128.73 161.83 28.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.666 ' CG1' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -142.7 110.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -110.62 102.31 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -103.09 139.36 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -109.78 165.21 13.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.2 Cg_endo -75.02 -43.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.15 21.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.908 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -117.32 162.03 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.661 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.02 57.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.666 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -112.23 124.47 68.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.989 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.85 100.21 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.519 ' SG ' HG23 ' A' ' 55' ' ' VAL . 5.0 t -70.11 140.16 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 134.35 -100.07 0.36 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 11.5 t70 -128.42 164.25 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.851 ' HB3' HD21 ' A' ' 50' ' ' LEU . 1.7 t80 -122.65 99.71 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.751 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 174.61 68.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.06 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 1.037 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.99 167.82 20.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.918 ' O ' HG23 ' A' ' 97' ' ' ILE . 2.4 m -113.98 86.76 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.856 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -50.32 -14.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 40.1 ttt180 -83.11 -43.18 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -74.46 -23.01 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.991 HD13 HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -92.8 -36.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.733 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -76.64 -68.02 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.71 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 6.3 p80 53.06 -72.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.772 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 14.6 p -141.14 137.24 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.059 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 144.53 -111.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.108 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -164.68 -175.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -159.53 125.15 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.863 ' CE2' HD13 ' A' ' 137' ' ' ILE . 46.0 t80 -103.85 126.86 51.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.626 ' CB ' HD12 ' A' ' 136' ' ' LEU . 29.0 t0 -113.55 145.81 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 171.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -53.04 100.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.438 ' HB3' ' NH2' ' A' ' 117' ' ' ARG . . . -130.28 -49.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.907 ' HE2' HD21 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -59.82 -34.99 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.723 HG21 ' HB ' ' A' ' 138' ' ' THR . 0.2 OUTLIER -62.58 -14.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.12 -40.46 10.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 1.009 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.9 mp -88.65 162.07 40.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.612 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -74.98 -153.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.446 ' HB1' ' HE1' ' A' ' 157' ' ' TRP . . . -85.24 -68.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 0.9 OUTLIER -40.32 -55.17 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 1.009 ' HG2' HD23 ' A' ' 112' ' ' LEU . 1.3 tpt -51.34 -58.97 4.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 1.04 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -53.48 -32.88 52.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -61.42 -53.56 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -68.97 -20.88 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.465 ' OH ' HD21 ' A' ' 28' ' ' LEU . 6.3 t80 -76.94 -48.43 18.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 1.04 HG13 ' O ' ' A' ' 117' ' ' ARG . 2.6 m -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 2.4 pt20 -61.84 -50.34 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.546 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 1.8 m-70 -59.89 -36.35 76.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.719 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -66.33 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -50.33 -24.72 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -81.47 7.2 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.719 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.2 mmt -76.1 176.62 3.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.71 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -102.42 -45.17 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.72 97.57 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -149.87 152.01 34.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.797 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -97.11 108.62 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.534 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -86.76 151.5 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.901 HD13 HG22 ' A' ' 197' ' ' VAL . 54.1 tp -158.2 110.87 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.783 ' HB3' ' CE2' ' A' ' 196' ' ' TYR . 0.8 OUTLIER -100.75 147.23 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.863 HD13 ' CE2' ' A' ' 104' ' ' TYR . 2.5 mp -123.73 106.07 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.738 ' CG2' HD21 ' A' ' 136' ' ' LEU . 32.2 p -110.08 172.62 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -140.13 172.89 12.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 4.9 tt0 -126.35 -76.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.4 OUTLIER -23.13 -77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.792 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -28.27 146.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 2.4 pp0? 160.74 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.2 45.28 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.981 HD21 ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 175.86 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.241 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.92 153.45 21.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.53 ' H ' HD23 ' A' ' 146' ' ' LEU . 10.4 pt-20 -57.16 110.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 68.29 148.11 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -74.9 109.8 2.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.58 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.4 Cg_endo -75.01 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.559 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.4 t80 -92.39 81.78 4.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.0 OUTLIER -25.6 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 109' ' ' MET . 9.3 p -70.86 125.96 92.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.595 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.0 Cg_endo -75.03 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -40.57 -32.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.595 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.1 t -56.09 -34.93 66.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.669 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 58.8 t90 -64.54 -58.83 5.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.907 HD21 ' HE2' ' A' ' 109' ' ' MET . 1.4 mt -52.35 -28.03 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.713 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.9 t-80 -83.99 -22.25 31.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.638 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.6 OUTLIER -83.72 -33.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.687 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.31 -62.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.736 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.62 5.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.713 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 33.1 t -97.71 91.56 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 159.27 54.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.746 ' O ' HG22 ' A' ' 201' ' ' VAL . 7.1 m-20 152.31 -21.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 130.01 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 108.011 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.5 mt-10 -82.27 90.1 6.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.581 ' HA ' ' O ' ' A' ' 197' ' ' VAL . 1.7 m -69.95 157.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.5 OUTLIER -157.42 139.05 13.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.656 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.8 OUTLIER -71.63 149.87 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.965 HG11 HG23 ' A' ' 197' ' ' VAL . 0.2 OUTLIER -171.19 169.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 86.21 -151.95 25.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 166.21 -174.05 41.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 1.9 pt20 -101.86 163.51 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 9.2 t0 84.21 -9.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 176' ' ' THR . 9.0 t -107.24 74.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 1.056 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -90.95 -19.52 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -77.47 14.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 177' ' ' LEU . 11.0 t -99.98 -19.87 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . 0.432 ' HB2' ' OE1' ' A' ' 193' ' ' GLU . 43.7 t -118.7 160.58 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -92.74 -32.38 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -46.37 -24.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.966 ' HA3' HD21 ' A' ' 177' ' ' LEU . . . -71.93 -49.8 21.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 184' ' ' LEU . 1.3 mm? -72.24 -15.67 61.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -57.79 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.712 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -74.72 -40.55 61.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 101.41 68.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.981 ' HG ' HD21 ' A' ' 145' ' ' LEU . 3.8 mp -110.22 -41.67 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 4.8 pt-20 50.42 24.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 168.34 108.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.66 ' CE ' HD23 ' A' ' 177' ' ' LEU . 1.1 ptt? -172.17 144.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.3 m-20 -66.85 134.71 52.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 173' ' ' GLY . 2.1 tt0 -124.77 115.24 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.1 OUTLIER -103.09 122.62 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.698 HG22 HG13 ' A' ' 137' ' ' ILE . 57.8 t -114.38 149.9 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 1.215 ' CE1' HD22 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -147.87 118.2 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.965 HG23 HG11 ' A' ' 171' ' ' VAL . 1.4 t -82.54 167.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 1.215 HD22 ' CE1' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -163.13 110.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -76.25 100.35 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.6 101.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -140.68 84.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.513 HG11 ' CD1' ' A' ' 37' ' ' TRP . 1.5 p -131.74 143.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.556 ' HA ' ' CB ' ' A' ' 179' ' ' SER . 6.2 m-80 -33.84 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -42.81 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -41.63 97.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.751 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.6 tm? -56.29 -65.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 14' ' ' SER . 3.9 pp0? -57.82 -28.3 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.27 -80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.482 ' CE1' HG11 ' A' ' 197' ' ' VAL . 40.2 m-85 -44.16 -47.12 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 1.034 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.9 t-105 -58.28 -55.39 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.0 t -46.7 -34.81 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -85.05 -49.46 8.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.13 -52.64 5.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.39 37.96 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.595 HG13 ' CE2' ' A' ' 43' ' ' TYR . 1.1 p -51.94 150.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.817 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 7.8 p -34.83 142.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -2.95 18.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.002 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -43.63 156.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.923 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 4.2 mmt85 -80.89 119.15 23.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.755 HG21 ' HG ' ' A' ' 38' ' ' LEU . 41.5 t -102.03 94.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.825 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.9 tm? -79.35 139.62 37.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.805 HG12 ' HB3' ' A' ' 104' ' ' TYR . 33.7 m -148.14 101.76 3.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.986 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 137.92 22.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.34 54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -80.4 -35.29 35.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 69.39 57.97 6.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 35.21 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 m -118.32 169.06 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 179' ' ' SER . 0.0 OUTLIER -55.59 -30.2 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.36 -55.7 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.607 ' SD ' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -62.27 -48.73 78.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.7 m -54.12 -38.58 65.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 78.9 t90 -66.98 -43.51 82.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.755 ' HG ' HG21 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -57.69 -45.8 85.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -61.98 -39.27 91.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.09 74.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 18.8 mm-40 -81.02 -37.8 28.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.86 66.21 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.5 m-85 -132.26 170.97 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.48 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -83.63 78.52 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.951 HG12 HD11 ' A' ' 82' ' ' ILE . 85.0 t -67.98 113.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.781 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.3 p -137.47 133.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.724 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -173.32 -172.75 39.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.965 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -143.68 167.26 22.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CD ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -126.13 125.82 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.864 HD23 HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -88.41 66.12 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.665 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 11.0 m -152.02 134.4 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -89.08 -62.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.95 -27.24 12.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -65.91 -48.67 70.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -60.17 -40.9 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.64 -43.97 95.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.566 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -61.09 -35.86 78.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 110.342 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.566 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.1 -39.82 75.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 3.1 m-30 -71.38 -26.44 62.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -36.13 24.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.12 -42.17 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -84.33 -35.85 22.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.0 38.62 18.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 18.1 mt-10 74.7 153.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 161.79 -49.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.616 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.02 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.22 110.0 22.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.603 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.631 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.0 mm -93.91 132.39 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -131.67 156.5 45.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.9 p -103.84 138.06 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -147.01 87.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.32 -118.22 11.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -95.54 23.15 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.684 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 95.9 m-85 -139.82 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.692 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -124.86 175.88 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.773 HG13 ' HB2' ' A' ' 85' ' ' TRP . 70.1 t -142.81 97.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.699 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -105.26 101.1 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -104.18 141.46 36.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -109.38 162.05 21.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.439 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.1 Cg_endo -75.0 -38.46 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.42 -54.37 32.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.951 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -118.46 158.39 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.641 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.58 48.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.698 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.22 121.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.965 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -109.54 107.99 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' A' ' 55' ' ' VAL . 1.7 t -73.92 144.13 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 127.3 -99.98 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.684 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 7.3 p-10 -125.37 163.39 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.756 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -121.71 176.63 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER 79.6 54.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.68 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -139.76 16.52 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.947 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 35.74 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.848 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -61.38 -11.16 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.947 ' HG2' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -81.59 -41.15 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -76.55 -40.15 50.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.979 HD13 ' O ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -79.03 -37.13 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 23' ' ' ARG . . . -72.77 -67.98 1.7 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.609 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 7.2 t-160 67.13 -69.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.75 . . . . 0.0 109.604 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 29.7 p -154.98 148.64 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 1.002 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.8 -106.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 1.034 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -163.99 163.99 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.604 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -143.82 116.23 8.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.805 ' HB3' HG12 ' A' ' 26' ' ' VAL . 22.0 t80 -94.25 131.61 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.604 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 37.5 t0 -120.41 128.47 53.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -101.64 170.14 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.88 ' HB2' HD21 ' A' ' 139' ' ' LEU . . . -41.29 101.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -146.63 -51.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.623 ' SD ' ' CD1' ' A' ' 120' ' ' TYR . 2.0 mmt -64.56 -35.39 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.866 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -64.23 -12.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -77.38 -52.92 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.632 HD12 ' H ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -78.45 166.7 41.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.0 -66.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -39.99 -63.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 1.1 tpt -51.6 -46.55 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 1.004 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -52.68 -45.42 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.722 ' HG2' HG21 ' A' ' 161' ' ' VAL . 4.7 mt-10 -62.09 -56.3 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HG2' ' HE2' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.68 -23.05 26.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.623 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 1.3 t80 -80.39 -53.37 6.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 1.004 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -59.58 -38.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.567 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -69.21 -52.07 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.598 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 8.6 m170 -54.45 -42.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.695 HD22 ' HG2' ' A' ' 128' ' ' MET . 0.2 OUTLIER -59.91 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.771 ' OE2' ' CG ' ' A' ' 166' ' ' TRP . 3.9 mt-10 -54.02 -19.47 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -73.08 -51.37 18.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -90.85 5.0 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.695 ' HG2' HD22 ' A' ' 124' ' ' LEU . 7.3 mmt -71.62 173.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -45.91 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.706 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.8 103.0 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.61 ' HB2' ' C ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -154.04 168.9 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.547 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -113.7 110.3 19.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -83.65 153.09 29.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 195' ' ' VAL . 0.3 OUTLIER -145.78 99.05 3.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.484 ' CD2' ' CG ' ' A' ' 105' ' ' ASP . 0.2 OUTLIER -87.36 147.5 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.767 HG13 HG22 ' A' ' 195' ' ' VAL . 3.4 mp -132.64 109.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.891 ' C ' HD23 ' A' ' 139' ' ' LEU . 24.4 p -115.67 178.32 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.907 HD12 ' CG ' ' A' ' 142' ' ' ASP . 0.1 OUTLIER -150.63 173.72 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -135.01 -80.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.557 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -22.95 -69.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.907 ' CG ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -32.93 147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 176.51 -33.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . 0.482 ' C ' HD12 ' A' ' 145' ' ' LEU . . . -129.04 60.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.897 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 170.47 -21.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.694 ' HB2' HD21 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -99.61 126.01 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.654 ' N ' HD12 ' A' ' 146' ' ' LEU . 25.7 mt-10 -45.39 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 88.26 140.66 7.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.44 3.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.539 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.01 135.94 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.413 1.744 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.509 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.8 t80 -105.61 88.33 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.9 OUTLIER -30.2 117.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.866 ' CG2' HG22 ' A' ' 110' ' ' ILE . 1.7 t -104.12 117.87 58.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.1 Cg_endo -75.08 122.4 7.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 3.0 mp0 -40.85 -26.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -62.19 -45.13 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.688 ' CZ2' HG11 ' A' ' 161' ' ' VAL . 33.4 t90 -63.82 -51.94 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.777 HD23 HG11 ' A' ' 168' ' ' VAL . 0.3 OUTLIER -54.94 -31.67 60.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.61 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.2 t60 -85.13 -17.89 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.71 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -82.58 -37.34 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.722 HG21 ' HG2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -113.98 -59.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.711 ' HE1' ' CH2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.9 6.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 161' ' ' VAL . 24.6 t -104.97 100.47 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.645 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 163.28 54.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 27.4 m-20 143.91 -18.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CG ' ' OE2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -145.72 127.4 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . 0.768 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.8 mt-10 -89.56 97.99 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 198' ' ' LEU . 47.5 t -76.2 139.01 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.868 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -125.4 142.63 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.573 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -65.7 141.71 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.592 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -171.41 169.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.592 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.34 -162.05 16.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -172.27 -166.27 30.63 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.4 pt20 -118.29 148.56 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . 0.45 ' HA ' ' N ' ' A' ' 191' ' ' MET . 3.6 m-20 70.28 7.73 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 176' ' ' THR . 5.5 t -117.08 74.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.861 HD23 ' HG3' ' A' ' 191' ' ' MET . 3.9 pp -91.2 -22.88 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.554 ' N ' HD12 ' A' ' 177' ' ' LEU . 11.0 p-80 -41.47 -26.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.547 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.556 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 17.3 m -59.28 -55.43 34.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 96.0 p -86.61 159.55 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -85.72 -50.08 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.401 ' HD3' HD11 ' A' ' 146' ' ' LEU . 1.0 OUTLIER -37.89 -31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 188' ' ' LEU . . . -60.39 -55.46 29.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.652 HD22 ' H ' ' A' ' 184' ' ' LEU . 1.3 mm? -71.53 -18.45 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.97 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 0.889 ' HB1' ' O ' ' A' ' 145' ' ' LEU . . . -96.71 -40.0 9.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 86.08 76.5 1.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.4 OUTLIER -111.69 1.91 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 189' ' ' GLU . 0.7 OUTLIER 33.3 66.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.682 ' H ' HD21 ' A' ' 177' ' ' LEU . 40.8 mtt180 80.75 123.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.861 ' HG3' HD23 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -160.61 155.17 23.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.475 ' HB2' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -50.75 104.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.64 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.4 OUTLIER -122.78 109.63 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 138' ' ' THR . 1.6 m80 -92.05 157.97 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 0.767 HG22 HG13 ' A' ' 137' ' ' ILE . 20.1 t -147.72 155.07 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.643 ' HA ' ' O ' ' A' ' 169' ' ' THR . 5.5 m-85 -147.17 116.2 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.868 HG12 HG22 ' A' ' 169' ' ' THR . 7.7 p -94.3 107.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.952 ' HB3' HG22 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -99.86 152.69 19.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.2 mt-10 -112.56 100.41 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.231 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.595 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -66.1 93.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 165' ' ' ASN . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.42 84.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.579 HG11 ' HD1' ' A' ' 37' ' ' TRP . 1.7 p -131.73 78.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.541 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 33.05 95.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -39.38 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.815 ' OD2' HG21 ' A' ' 195' ' ' VAL . 3.1 p30 -65.07 -34.22 77.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.682 ' C ' HD13 ' A' ' 9' ' ' LEU . 2.4 tm? -67.5 -65.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -55.95 -28.08 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 18.5 tp60 -65.17 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' LEU . 21.7 m-85 -46.13 -54.77 8.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.793 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t-105 -47.79 -50.56 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 30.3 t -61.23 -30.84 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -96.9 11.09 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 12' ' ' TYR . 6.2 mt -106.87 -58.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.88 36.15 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' VAL . 57.4 t -46.79 148.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.0 p -36.41 145.51 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.797 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.6 -1.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.983 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -44.16 155.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.974 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 4.7 mmt85 -79.82 114.85 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.772 HG11 ' CD2' ' A' ' 38' ' ' LEU . 32.5 t -107.85 114.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.815 HD22 ' CE ' ' A' ' 128' ' ' MET . 6.9 tp -86.35 152.99 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 ' HB2' ' A' ' 29' ' ' CYS . 41.2 t -137.69 83.95 23.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.667 ' CD ' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.02 115.28 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD22 ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 37.36 29.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB2' HG13 ' A' ' 26' ' ' VAL . 62.0 m -104.3 -25.71 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -24.42 90.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 29' ' ' CYS . 5.5 ttmt -108.32 -96.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' SER . 26.0 p -173.24 -55.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 12.0 mm-40 -72.45 -35.19 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.4 -58.01 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.497 ' HB2' HG11 ' A' ' 45' ' ' VAL . 11.5 ptm -69.93 -49.78 48.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' SER . 58.0 m -50.14 -31.49 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.579 ' HD1' HG11 ' A' ' 5' ' ' VAL . 9.2 t90 -76.94 -52.51 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.049 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.772 ' CD2' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.4 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -57.65 -45.77 85.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.951 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.11 -23.43 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -92.82 -21.92 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 107.19 50.64 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -118.53 164.32 15.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -91.32 84.58 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.742 HG12 HD11 ' A' ' 82' ' ' ILE . 25.4 t -74.7 109.52 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.966 HG23 ' HB3' ' A' ' 83' ' ' GLU . 6.5 p -138.51 98.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.705 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -146.25 -172.61 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.976 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.66 168.64 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.644 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -124.88 91.45 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -61.31 65.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.3 m -151.93 133.39 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 4.2 mp0 -98.37 -43.08 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.55 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.657 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.1 t -59.61 -55.2 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' N ' HG12 ' A' ' 55' ' ' VAL . 59.4 mm-40 -62.97 -44.78 95.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 5.7 tpt180 -59.75 -30.46 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.4 m-30 -71.87 -49.74 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.0 m-30 -62.14 -30.6 71.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.12 -26.56 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.5 mm-40 -77.73 -33.76 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -96.81 -31.83 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.09 47.26 67.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -122.49 -42.57 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.1 76.25 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.741 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.1 Cg_endo -75.01 -154.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -62.75 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.641 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 77' ' ' TYR . 23.9 mm -87.54 133.21 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.56 HG22 ' CG2' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -135.08 170.5 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 69' ' ' THR . 90.2 p -121.57 120.17 34.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 1.4 mm-40 -120.95 104.99 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' ASP . . . 42.06 58.33 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 12.1 t0 88.84 -47.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.61 174.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -118.45 172.48 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 85' ' ' TRP . 87.8 t -142.31 106.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.741 ' CE2' ' CG ' ' A' ' 66' ' ' PRO . 7.7 t80 -99.96 101.11 12.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -112.3 120.08 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.26 155.88 38.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.17 0.74 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.883 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -106.12 152.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.966 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.94 51.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.883 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -108.45 112.15 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TRP . . . . . 0.976 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.01 98.4 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -72.27 119.68 16.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.365 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 74' ' ' PHE . . . 150.09 -101.55 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.633 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -103.59 163.63 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 1.4 t80 -144.01 88.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 164.46 41.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.55 -33.51 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.794 ' CD2' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -92.51 -161.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.6 m -130.23 94.24 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.999 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -55.94 -12.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -78.92 -43.71 24.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -75.0 -44.18 49.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.794 HD13 ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -74.56 -30.06 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -77.33 -74.51 0.98 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.749 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 62.91 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 9.0 t -152.14 142.85 22.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.983 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 149.38 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.1 166.56 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.692 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -150.94 118.91 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . 0.667 ' O ' ' CD ' ' A' ' 27' ' ' PRO . 6.1 t80 -84.87 169.19 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.545 ' HB3' HD23 ' A' ' 136' ' ' LEU . 9.8 t0 -161.43 137.68 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -108.77 170.59 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.487 ' C ' HD12 ' A' ' 110' ' ' ILE . . . -59.78 95.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.67 -46.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.467 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.56 -22.28 66.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -71.64 -11.56 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 -55.09 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.1 OUTLIER -66.44 166.6 16.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.02 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -63.07 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.9 t0 -39.29 -55.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 34.4 tpp -59.68 -44.39 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.827 ' O ' HG13 ' A' ' 121' ' ' VAL . 44.2 mtp180 -54.01 -43.89 70.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.6 mt-10 -65.0 -43.25 93.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.563 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 3.0 mmt180 -67.21 -26.13 66.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -75.62 -59.76 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.9 m -55.76 -45.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.6 pt20 -62.5 -47.13 85.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 5.8 m-70 -58.54 -38.09 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.724 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.21 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 2.1 pp20? -50.52 -22.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.19 -57.89 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -81.46 3.28 25.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.815 ' CE ' HD22 ' A' ' 25' ' ' LEU . 4.4 mmt -72.54 174.23 4.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' PRO . . . . . 0.749 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 201' ' ' VAL . 6.2 tt0 -106.09 -41.57 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -140.15 98.59 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' CYS . . . . . 0.581 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -151.51 157.58 42.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.618 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -100.92 107.84 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.692 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -85.99 157.04 30.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.595 HD22 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -150.05 104.04 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.057 HD22 ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -101.49 135.9 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 1.057 ' N ' HD22 ' A' ' 136' ' ' LEU . 3.3 mm -114.35 134.31 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.956 ' O ' HD13 ' A' ' 139' ' ' LEU . 13.6 p -137.21 165.99 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.956 HD13 ' O ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -130.44 168.11 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 141' ' ' TYR . 15.3 tt0 -131.88 -91.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -25.45 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -30.63 145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 178.0 -31.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -117.97 52.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 142' ' ' ASP . 0.1 OUTLIER -87.47 126.46 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 146' ' ' LEU . 13.0 mt-10 -43.95 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.408 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 84.04 126.65 1.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' PRO . . . . . 0.451 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 151.94 40.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 151' ' ' PHE . 24.9 t80 -99.25 19.2 15.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 21.6 p 40.01 75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.642 ' CG1' HG21 ' A' ' 138' ' ' THR . 11.1 p -63.44 117.47 34.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' PRO . . . . . 0.696 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.97 124.71 8.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -44.77 -38.43 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . 0.696 HG22 ' HB2' ' A' ' 154' ' ' PRO . 11.6 t -53.66 -37.06 62.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TRP . . . . . 0.649 ' CE2' HG11 ' A' ' 161' ' ' VAL . 71.1 t90 -62.98 -59.88 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LEU . . . . . 0.818 HD22 ' HE2' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -52.03 -25.98 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.718 ' O ' ' CB ' ' A' ' 163' ' ' SER . 8.3 t60 -84.23 -23.61 30.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ARG . . . . . 0.603 ' CG ' HG12 ' A' ' 161' ' ' VAL . 1.4 ptp180 -84.32 -32.86 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' VAL . . . . . 0.695 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.04 -64.59 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . 0.735 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -55.84 6.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.718 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 40.3 t -99.81 100.14 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.68 53.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 0.9 OUTLIER 153.34 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' TRP . . . . . 0.735 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.88 125.69 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.3 100.71 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.895 ' HB ' ' CE1' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -72.11 145.26 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.794 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -143.83 139.6 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.475 ' C ' HG12 ' A' ' 171' ' ' VAL . 13.2 ptmt -67.42 142.04 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' VAL . . . . . 0.65 HG22 ' CG1' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -169.47 171.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.36 -160.22 17.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -165.15 169.05 39.56 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pt20 -104.24 152.86 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 174' ' ' GLN . 0.5 OUTLIER 66.56 6.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 176' ' ' THR . 14.7 t -116.94 76.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' LEU . . . . . 0.655 HD21 ' H ' ' A' ' 190' ' ' ARG . 0.2 OUTLIER -82.27 -10.2 59.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' HIS . . . . . 0.426 ' N ' HD12 ' A' ' 177' ' ' LEU . 1.4 m80 -58.35 -25.24 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.442 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.1 m -56.51 -19.34 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 3.6 m -132.31 162.04 32.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -81.79 -32.21 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 182' ' ' ARG . 4.2 ptp180 -48.19 -33.12 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -55.33 -48.67 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.7 OUTLIER -86.08 -14.92 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.83 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' ALA . . . . . 1.018 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -106.91 -40.06 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 90.11 70.5 1.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 1.018 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.1 OUTLIER -114.4 -33.2 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' GLU . . . . . 0.752 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 11.7 pt-20 44.68 62.43 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' ARG . . . . . 0.752 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 126.56 97.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' MET . . . . . 0.753 ' HG3' HD22 ' A' ' 188' ' ' LEU . 15.1 mmt -151.79 155.24 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.0 OUTLIER -76.21 106.64 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' GLU . . . . . 0.585 ' O ' ' O ' ' A' ' 173' ' ' GLY . 25.7 tt0 -107.85 107.25 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' HIS . . . . . 0.474 ' O ' ' OG1' ' A' ' 138' ' ' THR . 10.7 m-70 -97.76 121.96 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' VAL . . . . . 1.023 HG22 HG23 ' A' ' 137' ' ' ILE . 9.5 t -109.04 153.57 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' TYR . . . . . 0.906 ' CE1' ' HG ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -146.06 114.47 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' VAL . . . . . 0.794 HG12 HG22 ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.25 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' LEU . . . . . 0.906 ' HG ' ' CE1' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -119.44 100.28 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -75.84 98.18 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' ARG . . . . . 0.581 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.04 104.85 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 165' ' ' ASN . 31.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.8 m170 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.534 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 3.0 mp0 60.07 55.09 3.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.08 -59.16 2.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.994 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.26 84.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.28 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.3 p -131.66 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.759 ' ND2' HD12 ' A' ' 137' ' ' ILE . 3.9 m120 34.32 95.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.448 ' O ' ' NE2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -43.05 -40.79 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.612 ' OD2' HG21 ' A' ' 195' ' ' VAL . 0.6 OUTLIER -63.26 -48.84 76.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.752 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.6 tm? -51.47 -64.83 0.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.539 ' O ' ' CB ' ' A' ' 14' ' ' SER . 4.4 pp0? -57.73 -26.59 62.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -73.3 -74.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.635 ' CD2' HG21 ' A' ' 197' ' ' VAL . 17.0 m-85 -43.86 -51.45 7.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.614 ' CD1' HD22 ' A' ' 9' ' ' LEU . 13.1 m95 -58.25 -55.82 30.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 108.007 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.6 t -43.04 -34.83 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -89.05 -55.93 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -37.97 -63.58 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.319 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.441 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 51.9 t30 70.99 47.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 19' ' ' VAL . 69.8 t -48.3 167.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.147 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 10.9 p -58.98 143.41 83.95 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.566 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.07 96.68 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.507 1.793 . . . . 0.0 110.976 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 0.46 13.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.147 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . . . -52.37 156.92 1.59 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 0.776 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.956 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 13.1 mmt85 -80.74 114.0 19.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.011 HG11 ' HG ' ' A' ' 38' ' ' LEU . 39.4 t -104.2 112.89 39.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.572 1.17 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.625 ' CD2' ' CE ' ' A' ' 128' ' ' MET . 1.3 tp -90.59 150.84 21.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.987 HG22 ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -132.76 81.07 59.68 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 1.059 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.97 117.55 4.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.812 . . . . 0.0 111.049 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.059 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 30.83 38.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.987 ' SG ' HG22 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -115.64 -21.84 9.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 108.236 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -28.73 106.03 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -118.25 -79.02 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 0.771 . . . . 0.0 109.306 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.6 OUTLIER 164.53 -54.6 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -70.99 -45.86 63.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.583 ' OD1' ' CG ' ' A' ' 104' ' ' TYR . 1.1 t70 -54.43 -58.64 6.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 36' ' ' SER . 2.4 ppp? -62.83 -47.39 83.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.985 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 32' ' ' SER . 30.1 m -54.73 -28.15 46.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.534 ' CD1' ' HG2' ' A' ' 2' ' ' GLN . 49.6 t90 -75.72 -57.0 4.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 107.989 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.011 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -47.63 -54.21 12.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 p -57.61 -50.63 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.35 -21.79 4.65 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.517 1.136 . . . . 0.0 111.049 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -91.47 -33.17 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.34 65.03 0.6 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CE2' ' HZ3' ' A' ' 13' ' ' TRP . 11.1 m-85 -133.93 163.57 29.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 111.046 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -81.92 85.25 6.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.617 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.075 HG12 HD11 ' A' ' 82' ' ' ILE . 88.4 t -80.97 103.26 7.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG13 HD13 ' A' ' 97' ' ' ILE . 1.2 p -134.87 112.6 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.739 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -155.62 -172.81 23.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.995 ' HB3' ' HB2' ' A' ' 89' ' ' PHE . . . -128.99 159.21 36.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 0.754 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.846 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.84 95.97 5.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.634 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.04 64.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.793 ' O ' HG13 ' A' ' 55' ' ' VAL . 47.0 t -152.85 107.16 3.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.482 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -70.42 -59.67 2.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 0.0 110.255 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.93 -33.32 17.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.668 ' HB2' ' OG ' ' A' ' 51' ' ' SER . . . -62.52 -58.35 7.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.793 HG13 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -47.59 -42.61 8.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 13.5 mt-10 -60.89 -44.01 97.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -60.96 -33.29 72.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.238 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 1.4 m-30 -75.19 -34.22 61.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.103 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 5.0 m-30 -75.7 -25.5 56.73 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.67 -34.55 19.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.31 -39.93 59.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.1 mtt-85 -90.5 -34.48 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.7 38.63 23.49 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.137 . . . . 0.0 110.964 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.9 mt-10 75.64 151.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.32 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.55 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 161.89 -49.1 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.279 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.607 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.96 -175.69 2.48 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.27 101.1 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.093 . . . . 0.0 109.607 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.579 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 18.9 mm -95.37 126.0 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.496 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.31 150.13 45.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 96.5 p -106.72 100.06 9.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.54 85.32 2.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 61.38 -111.81 4.19 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.43 -7.59 41.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 5.5 m-85 -108.55 173.07 6.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.677 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 4.5 mttt -125.33 170.94 10.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 85' ' ' TRP . 91.4 t -143.47 96.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -105.75 100.97 10.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 111.02 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -100.08 150.46 22.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -117.01 159.48 40.81 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -25.05 12.35 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.517 1.798 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.7 -54.24 5.52 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.075 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -121.04 165.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.485 0.756 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.562 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -100.55 49.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.846 HD12 ' OE1' ' A' ' 49' ' ' GLU . 0.3 OUTLIER -105.98 117.59 52.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.228 -179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.948 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.63 104.53 14.59 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.437 ' HB2' ' CD2' ' A' ' 77' ' ' TYR . 0.5 OUTLIER -68.25 130.93 44.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.309 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.677 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 141.55 -109.72 0.6 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.607 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 0.4 OUTLIER -118.83 163.95 16.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.995 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -128.93 105.91 8.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.435 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.5 OUTLIER 176.2 51.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 179.16 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.062 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.36 -1.17 2.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.975 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 44.62 82.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.397 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 1.05 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -57.46 -12.64 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.975 ' HG2' HG22 ' A' ' 93' ' ' THR . 20.7 ptt180 -80.02 -47.91 14.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 52.2 m-20 -63.82 -49.03 74.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.79 HD13 HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -71.77 -43.17 70.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -55.34 -77.24 0.16 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.708 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.53 -82.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 0.763 . . . . 0.0 109.564 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.78 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.3 p -146.64 136.76 23.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.956 ' HB3' ' O ' ' A' ' 23' ' ' ARG . . . 148.42 -104.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.983 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -176.5 179.88 1.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.789 ' CE1' ' HA3' ' A' ' 134' ' ' GLY . 3.1 p90 -162.42 132.7 4.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.69 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 23.7 t80 -92.08 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 4.6 t0 -101.26 129.23 47.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.486 ' CB ' ' HA ' ' A' ' 29' ' ' CYS . 15.8 ttm180 -103.26 148.54 25.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.804 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -41.62 104.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.564 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -130.68 -48.29 1.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.879 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -65.51 -25.55 67.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.804 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -69.26 -18.12 22.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.8 -17.19 44.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.525 HD21 ' O ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -108.35 174.31 2.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.483 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -75.0 -168.03 0.48 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -71.95 -64.61 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 m-20 -39.55 -60.62 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.487 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 21.3 tpp -55.93 -37.93 69.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.833 ' O ' HG13 ' A' ' 121' ' ' VAL . 5.1 mtp180 -59.33 -47.3 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.646 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.1 mt-10 -63.06 -39.96 96.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 1.8 mmt180 -70.47 -25.87 63.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.793 ' OH ' HD21 ' A' ' 28' ' ' LEU . 8.7 t80 -75.98 -56.34 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 110.956 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.833 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -57.49 -44.73 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 9.0 pt20 -63.99 -45.77 87.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.466 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 0.9 OUTLIER -60.0 -37.67 80.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.598 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.743 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.18 -64.14 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.524 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -51.68 -22.13 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.303 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.66 -51.18 13.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.05 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -86.54 -0.92 57.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.743 ' CG ' HD13 ' A' ' 124' ' ' LEU . 4.6 mmt -65.66 173.45 1.99 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.708 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.0 Cg_endo -75.05 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.518 1.799 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.452 ' O ' ' C ' ' A' ' 201' ' ' VAL . 42.5 mm-40 -109.23 -39.12 5.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.689 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -144.38 91.7 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -148.53 154.8 40.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 108.31 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.983 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -99.47 109.94 22.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 110.033 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.789 ' HA3' ' CE1' ' A' ' 103' ' ' PHE . . . -98.17 141.94 15.85 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.484 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -129.51 113.98 15.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.879 HD11 ' HE1' ' A' ' 109' ' ' MET . 0.6 OUTLIER -91.61 139.82 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.781 ' CD1' HG22 ' A' ' 195' ' ' VAL . 45.4 mm -122.78 101.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.668 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 24.8 p -105.37 175.74 5.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.53 ' CD1' ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -146.7 169.06 19.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.5 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 tm-20 -127.64 -78.81 0.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 3.2 m-85 -27.92 -85.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.712 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -27.02 137.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 1.2 pp0? 174.56 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.493 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -124.99 47.91 2.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.972 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -179.89 -31.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.891 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -87.56 152.99 21.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.696 ' H ' HD23 ' A' ' 146' ' ' LEU . 22.1 mt-10 -63.62 102.52 0.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.078 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.38 124.18 1.15 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.3 Cg_endo -75.03 114.36 4.0 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.421 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 138.71 23.35 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.514 1.797 . . . . 0.0 111.05 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.484 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -87.62 23.03 2.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 111.03 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.484 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.1 p 32.62 47.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 152' ' ' SER . 6.3 p -35.2 121.49 0.61 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.528 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.01 132.45 15.42 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.515 1.798 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.437 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 7.4 tm0? -50.06 -38.43 38.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -56.78 -44.23 81.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.421 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.722 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 27.5 t90 -63.32 -45.81 89.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 107.987 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.632 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -57.35 -41.16 79.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.123 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.625 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.3 t-80 -76.97 -17.32 58.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.753 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.82 -37.38 27.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.753 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.19 -58.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.65 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.65 6.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.661 ' H ' ' C ' ' A' ' 161' ' ' VAL . 30.1 t -104.34 103.47 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.558 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.44 55.78 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.645 ' O ' HG22 ' A' ' 201' ' ' VAL . 1.1 m120 151.31 -21.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 0.752 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.65 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.71 133.62 21.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 107.968 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -81.1 93.96 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 198' ' ' LEU . 5.5 m -84.02 135.31 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.662 ' CG2' HG12 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -134.6 142.87 47.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.452 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -68.45 137.75 54.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.615 HG21 ' CE1' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -165.47 166.22 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.54 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 90.67 -160.46 27.72 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 168.9 -160.93 34.57 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 4.3 pt20 -111.92 -173.92 2.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.9 t70 71.09 11.64 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.354 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.482 ' OG1' ' CB ' ' A' ' 179' ' ' SER . 1.4 t -115.4 74.36 0.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.352 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.783 HD13 ' O ' ' A' ' 177' ' ' LEU . 1.4 tm? -86.82 -39.48 15.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -63.43 -44.22 95.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.482 ' CB ' ' OG1' ' A' ' 176' ' ' THR . 0.9 OUTLIER -54.42 -68.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.965 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.37 120.12 8.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.982 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 184' ' ' LEU . . . -69.37 -48.8 60.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -45.77 -26.39 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.979 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -68.21 -39.67 88.1 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.45 HD23 HD11 ' A' ' 177' ' ' LEU . 0.3 OUTLIER -85.89 -15.28 42.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 0.754 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.64 -49.82 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.574 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -83.93 -38.32 21.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 100.52 67.24 0.83 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.979 HD23 ' HA2' ' A' ' 183' ' ' GLY . 2.4 mm? -89.3 -33.49 16.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 0.765 . . . . 0.0 109.34 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.6 pt-20 51.07 20.25 0.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.6 OUTLIER 148.47 100.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.594 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 4.6 ptt? -152.19 150.19 29.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 16.4 t0 -81.96 123.01 28.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.577 ' O ' ' O ' ' A' ' 173' ' ' GLY . 42.6 tt0 -110.22 114.67 28.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -92.11 151.08 20.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.576 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.781 HG22 ' CD1' ' A' ' 137' ' ' ILE . 41.0 t -140.43 150.26 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 20.8 m-85 -145.04 119.24 9.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.662 HG12 ' CG2' ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.78 111.18 19.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 109.342 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.826 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -112.45 109.5 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -87.61 102.24 14.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 110.345 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.537 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -65.78 106.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 110.258 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 165' ' ' ASN . 30.5 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 4' ' ' GLU . 9.8 mp0 -48.89 -68.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.4 m 64.61 -79.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.44 84.94 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.666 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -131.67 78.29 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.484 ' O ' ' O ' ' A' ' 5' ' ' VAL . 5.1 m120 34.07 92.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -44.81 -40.35 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.5 OUTLIER -62.54 -45.48 92.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.706 HD23 ' CE1' ' A' ' 104' ' ' TYR . 2.9 tm? -56.67 -65.68 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.533 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -56.06 -23.56 34.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 14' ' ' SER . 13.6 tp60 -73.27 -81.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.489 ' CG ' HG21 ' A' ' 197' ' ' VAL . 45.1 m-85 -44.08 -37.53 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.796 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 2.0 t-105 -70.15 -41.67 73.54 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.3 m -57.38 -36.54 71.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 110.046 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.19 -45.63 10.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.467 ' O ' ' HB3' ' A' ' 17' ' ' ASN . 1.3 mt -43.42 -51.24 6.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 49.4 t30 70.6 36.74 1.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 19' ' ' VAL . 56.1 t -41.92 130.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.041 HG13 ' HB2' ' A' ' 22' ' ' ALA . 0.2 OUTLIER -34.87 144.46 0.21 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.587 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 96.95 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.547 1.814 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.18 10.9 10.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.52 1.137 . . . . 0.0 111.0 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.041 ' HB2' HG13 ' A' ' 19' ' ' VAL . . . -61.9 157.79 17.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 0.781 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.878 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 15.4 mmt85 -82.12 117.36 22.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.892 HG23 ' HA ' ' A' ' 45' ' ' VAL . 19.6 m -105.35 111.14 33.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.075 HD23 HD11 ' A' ' 97' ' ' ILE . 1.5 tm? -97.14 138.28 34.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.578 ' N ' HD13 ' A' ' 25' ' ' LEU . 30.8 m -137.41 105.45 8.49 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.936 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.97 143.42 29.15 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.936 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 22.48 52.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 27' ' ' PRO . 50.7 t -138.41 33.34 2.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 108.273 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 31' ' ' LYS . . . -65.06 112.15 4.77 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.544 1.153 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 30' ' ' GLY . 0.1 OUTLIER 87.97 110.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.762 . . . . 0.0 109.338 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.93 161.08 1.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 181' ' ' ALA . 5.3 mp0 -58.8 -41.66 87.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.7 OUTLIER -52.51 -57.97 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.841 ' HG2' HG11 ' A' ' 45' ' ' VAL . 2.0 tmm? -53.15 -60.08 3.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.4 m -49.29 -33.45 13.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.666 ' HB2' HG21 ' A' ' 5' ' ' VAL . 31.8 t90 -72.84 -36.38 67.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.001 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.582 HD13 ' HB ' ' A' ' 24' ' ' VAL . 86.3 mt -67.12 -66.85 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.72 -37.76 59.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.977 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.72 -24.27 76.38 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.48 1.112 . . . . 0.0 111.06 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -84.53 -38.72 19.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 0.751 . . . . 0.0 110.243 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.12 64.15 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -136.22 174.17 10.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' O ' HG12 ' A' ' 46' ' ' VAL . 20.8 m-70 -93.76 80.13 4.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.569 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.059 HG12 HD11 ' A' ' 82' ' ' ILE . 81.2 t -70.62 110.87 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.983 HG22 HD12 ' A' ' 97' ' ' ILE . 1.5 p -141.32 104.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.762 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -142.0 -172.55 13.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.126 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.09 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -131.71 164.08 26.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 87' ' ' GLY . 2.6 tm-20 -125.39 128.81 48.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.4 OUTLIER -96.34 72.5 2.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.433 ' N ' ' OE1' ' A' ' 49' ' ' GLU . 68.4 m -152.27 131.36 12.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -98.37 -44.46 6.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.84 -42.27 90.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.76 70.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.684 HG13 ' CE2' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -64.22 -56.38 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' N ' HG12 ' A' ' 55' ' ' VAL . 7.2 mm-40 -60.19 -40.99 91.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.34 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -37.37 87.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -63.51 -46.15 87.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.684 ' CE2' HG13 ' A' ' 55' ' ' VAL . 4.1 m-30 -68.03 -31.17 70.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.148 . . . . 0.0 111.044 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.84 -36.78 59.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.407 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -73.64 -43.25 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.8 mtt85 -75.75 -35.38 60.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.66 38.26 17.41 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.132 . . . . 0.0 110.982 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.509 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.1 mt-10 69.91 151.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 159.9 -49.57 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.08 179.29 6.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -90.29 107.14 18.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.472 ' CG2' ' HD3' ' A' ' 75' ' ' LYS . 18.4 mm -97.67 128.12 49.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.516 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.9 OUTLIER -130.38 158.28 40.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.6 t -123.21 109.2 13.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.471 ' CG ' ' O ' ' A' ' 71' ' ' GLN . 1.2 pp0? -103.17 105.48 15.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.57 -106.14 0.89 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.6 33.01 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.646 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 19.7 m-85 -144.11 172.34 13.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.526 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -126.16 160.68 29.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.818 HG23 ' CB ' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.73 107.85 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.667 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -104.02 101.72 11.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.69 149.05 24.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -120.25 159.19 48.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.68 16.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.96 -52.22 5.46 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.488 1.117 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.059 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -124.91 168.23 17.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 0.744 . . . . 0.0 109.325 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.706 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -103.94 53.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.6 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -109.37 118.42 56.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.09 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.91 100.21 10.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 108.001 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.509 ' SG ' HG23 ' A' ' 55' ' ' VAL . 3.9 t -70.52 142.38 51.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 108.29 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.542 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 134.0 -99.39 0.35 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.646 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 12.6 t70 -129.69 163.84 25.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.607 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 7.6 t80 -119.47 102.93 9.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 165.09 52.11 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -145.33 -41.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.083 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.27 178.13 8.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.71 ' O ' HG23 ' A' ' 97' ' ' ILE . 51.8 m -122.64 85.51 2.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.385 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.84 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -51.96 -15.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.618 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.2 ttt85 -73.49 -48.53 32.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -46.23 62.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.267 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.075 HD11 HD23 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.91 -47.03 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -59.74 -72.42 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.691 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 57.9 -82.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 0.751 . . . . 0.0 109.568 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.772 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 96.6 m -139.99 136.43 33.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 108.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.006 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.58 -108.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.796 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -169.57 -176.67 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.614 ' CE1' ' CG ' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -162.3 128.43 3.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 111.035 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.752 ' CE1' HD11 ' A' ' 137' ' ' ILE . 7.1 t80 -95.69 121.17 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 110.966 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 1.064 ' HB2' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -101.64 139.3 37.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.513 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 3.1 ttm180 -108.8 158.68 17.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.635 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -52.86 99.94 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.89 -52.7 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.467 ' HA ' ' HG ' ' A' ' 112' ' ' LEU . 14.6 ptp -63.79 -32.86 74.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.574 HG22 ' CG1' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -58.47 -15.32 5.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.14 -59.18 2.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.64 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.96 169.68 1.46 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.62 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.02 170.7 19.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -51.83 -66.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 114' ' ' ALA . 8.1 t0 -38.59 -52.31 1.63 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.64 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 30.6 tpp -62.2 -41.37 98.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.921 ' O ' HG13 ' A' ' 121' ' ' VAL . 47.0 mtm180 -56.67 -42.33 78.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.607 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.9 mt-10 -66.25 -45.14 81.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.147 . . . . 0.0 110.296 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.4 OUTLIER -67.49 -22.78 65.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.641 ' OH ' HD11 ' A' ' 28' ' ' LEU . 34.6 t80 -76.48 -50.27 14.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.921 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -61.68 -46.04 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.497 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 2.5 pt20 -61.63 -48.91 78.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.495 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 11.5 m170 -57.21 -38.73 74.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.652 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -66.69 -65.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.5 OUTLIER -52.05 -19.37 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.338 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -74.67 -59.21 2.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.84 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -85.17 9.51 14.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.671 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.1 mmt -75.69 175.44 4.17 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.691 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -74.97 -167.18 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.72 -46.62 5.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.647 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.9 101.33 4.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.597 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -153.9 160.78 42.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 108.278 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.733 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.81 107.88 19.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -86.54 144.67 19.88 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.779 ' HG ' HG22 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -141.52 98.72 3.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 0.789 . . . . 0.0 109.318 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.064 HD12 ' HB2' ' A' ' 105' ' ' ASP . 2.1 tp -84.81 140.0 31.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.752 HD11 ' CE1' ' A' ' 104' ' ' TYR . 3.9 mp -118.92 114.79 45.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.915 ' C ' HD22 ' A' ' 139' ' ' LEU . 36.9 p -117.07 170.86 8.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.42 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.915 HD22 ' C ' ' A' ' 138' ' ' THR . 0.5 OUTLIER -132.76 167.95 19.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.3 mt-10 -123.38 -94.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.593 ' O ' ' C ' ' A' ' 142' ' ' ASP . 0.4 OUTLIER -22.25 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.962 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.759 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -24.76 132.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 144' ' ' ALA . 1.6 pt20 178.35 -29.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.514 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.71 49.78 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.995 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.42 -30.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 1.007 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.3 OUTLIER -93.03 126.81 38.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 1.007 ' N ' HD12 ' A' ' 146' ' ' LEU . 21.6 mt-10 -42.51 107.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.326 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 83.76 118.3 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.427 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -74.95 115.2 4.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.437 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 140.73 25.7 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.483 1.78 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.505 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -88.23 25.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.505 ' C ' ' O ' ' A' ' 151' ' ' PHE . 6.9 p 31.07 44.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.635 ' CG1' HG21 ' A' ' 138' ' ' THR . 9.9 p -36.86 122.43 0.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.244 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.506 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.03 164.81 32.55 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.569 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 16.5 tm0? -77.89 -32.69 52.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.506 HG22 ' HB2' ' A' ' 154' ' ' PRO . 6.2 t -63.41 -38.6 91.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.374 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.628 ' CE2' HG11 ' A' ' 161' ' ' VAL . 73.6 t90 -63.72 -52.96 58.2 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.807 HD13 ' CD2' ' A' ' 196' ' ' TYR . 2.4 mt -54.65 -35.43 63.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.657 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.5 t60 -78.09 -21.14 50.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.566 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.609 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -83.1 -34.32 26.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.676 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.55 -59.95 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.852 ' SD ' HD13 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -57.7 6.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 22.9 t -104.0 100.75 10.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.591 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 165.96 45.62 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.675 ' O ' HG22 ' A' ' 201' ' ' VAL . 3.1 m-20 149.17 -15.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 128.17 15.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 107.987 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 42.3 mm-40 -84.13 94.01 8.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.847 HG11 ' HB3' ' A' ' 162' ' ' MET . 2.4 m -70.92 130.86 34.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.611 HG22 ' HB ' ' A' ' 197' ' ' VAL . 0.4 OUTLIER -120.96 149.38 42.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.405 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -77.81 135.18 37.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.927 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -165.0 171.08 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 110.63 -173.19 15.98 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.464 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.06 156.46 27.23 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.031 -0.827 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 3.3 pm0 -103.83 166.41 10.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 110.249 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 56.74 21.34 5.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 176' ' ' THR . 15.4 t -107.67 74.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.5 tm? -65.5 -45.11 84.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 178' ' ' HIS . 2.6 p80 -76.91 61.92 2.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 109.57 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.4 t -161.08 -43.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.453 ' CB ' ' HE3' ' A' ' 191' ' ' MET . 43.9 t -90.33 126.16 35.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.416 ' HB2' ' OE1' ' A' ' 33' ' ' GLN . . . -65.14 -45.97 82.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.414 ' HG2' ' NH2' ' A' ' 106' ' ' ARG . 5.1 mtp180 -53.33 -19.29 3.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 110.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.817 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -73.02 -42.03 45.94 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 184' ' ' LEU . 0.9 OUTLIER -86.01 -14.36 44.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -51.48 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.662 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -84.28 -34.83 23.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.3 64.47 0.98 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.995 HD13 HD21 ' A' ' 145' ' ' LEU . 2.5 mm? -81.7 -37.46 27.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 0.788 . . . . 0.0 109.264 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 54.17 15.41 0.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.262 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.57 ' H ' HD23 ' A' ' 177' ' ' LEU . 1.7 mtt180 158.39 102.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.453 ' HE3' ' CB ' ' A' ' 180' ' ' SER . 2.0 ptt? -163.34 155.02 17.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.447 ' OD2' ' CD ' ' A' ' 140' ' ' GLU . 12.1 t0 -85.88 129.49 34.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 173' ' ' GLY . 22.4 tt0 -113.01 114.63 27.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.473 ' CE1' ' OE2' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -96.67 155.19 16.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.652 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.617 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 24.3 t -147.49 158.27 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.807 ' CD2' HD13 ' A' ' 158' ' ' LEU . 23.5 m-85 -145.12 130.07 18.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.927 HG23 HG11 ' A' ' 171' ' ' VAL . 55.9 t -99.37 99.8 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.852 HD13 ' SD ' ' A' ' 162' ' ' MET . 0.1 OUTLIER -100.58 106.53 18.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.272 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.9 tt0 -76.17 104.15 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.597 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -69.79 101.73 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 165' ' ' ASN . 26.1 m . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 3' ' ' SER . 2.9 m170 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 4' ' ' GLU . 6.7 mt-30 66.22 -66.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 1' ' ' HIS . 34.6 t 64.95 -78.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.969 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 10.5 pt-20 -140.49 84.63 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' ' 6' ' ' ASN . 2.7 p -131.7 133.18 61.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.496 ' C ' ' O ' ' A' ' 5' ' ' VAL . 38.2 t30 -33.44 108.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -46.71 -33.48 4.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 12' ' ' TYR . 2.6 m-20 -67.72 -53.12 30.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 9' ' ' LEU . 2.0 tm? -49.93 -63.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.53 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -57.06 -31.46 65.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.505 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 8.5 tt0 -75.29 -75.19 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.539 ' N ' ' O ' ' A' ' 8' ' ' ASP . 35.0 m-85 -43.44 -41.47 4.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 111.016 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.052 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.8 t-105 -70.29 -42.99 71.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 108.029 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 1.4 m -54.74 -30.1 55.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.978 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -94.82 -51.87 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -38.48 -51.87 1.58 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 52.7 t-20 65.31 53.32 1.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.627 HG12 ' CB ' ' A' ' 22' ' ' ALA . 73.1 t -59.71 142.83 14.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.973 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.43 151.25 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.455 1.766 . . . . 0.0 110.98 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 104.03 -3.5 44.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.001 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -37.64 154.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.901 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.7 mmt85 -82.45 120.46 25.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.29 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG11 ' HG ' ' A' ' 38' ' ' LEU . 22.2 t -107.16 114.04 45.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.856 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 1.8 tm? -96.58 141.12 30.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.712 ' CG1' ' HB3' ' A' ' 29' ' ' CYS . 5.8 t -136.37 100.59 10.34 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.691 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.2 Cg_endo -75.06 125.2 9.12 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.487 1.783 . . . . 0.0 111.011 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.974 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 23.98 90.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB3' ' CG1' ' A' ' 26' ' ' VAL . 29.1 t -141.08 -35.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.06 -100.04 2.51 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -165.83 145.86 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.742 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.9 t -169.93 -178.41 2.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.421 ' OE1' ' HA ' ' A' ' 33' ' ' GLN . 41.1 mm-40 -55.73 -23.76 31.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 35' ' ' MET . 0.9 OUTLIER -60.07 -58.34 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.525 ' HB3' HG11 ' A' ' 45' ' ' VAL . 3.4 mtm -63.8 -45.02 91.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -26.13 66.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.415 ' CE3' HD13 ' A' ' 38' ' ' LEU . 37.8 t90 -75.98 -48.32 21.52 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.2 OUTLIER -52.11 -56.39 14.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -59.03 -47.0 86.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -49.74 -20.72 3.0 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.467 1.104 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -98.78 -23.93 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 101.32 59.17 0.8 Allowed Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.424 ' OH ' ' O ' ' A' ' 18' ' ' VAL . 12.5 m-85 -129.85 166.91 19.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 0.73 . . . . 0.0 110.987 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' HB ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -79.03 94.01 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.58 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.775 HG12 HD11 ' A' ' 82' ' ' ILE . 61.1 t -79.9 97.09 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.96 HG11 HD12 ' A' ' 97' ' ' ILE . 1.4 t -114.98 132.99 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.55 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -160.27 163.94 34.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.506 1.128 . . . . 0.0 110.964 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.562 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -129.03 153.03 47.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.544 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -117.77 116.64 27.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.684 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -90.44 69.1 6.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.859 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 60.7 p -151.96 135.93 16.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.981 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -97.75 -46.55 5.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.95 -41.95 97.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.859 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -65.17 -33.11 75.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.588 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -63.49 -53.21 48.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HG12 ' A' ' 55' ' ' VAL . 2.9 mm-40 -61.0 -42.19 97.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -64.62 -35.33 80.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.2 m-30 -65.9 -45.02 83.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.968 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.708 ' CE2' HG21 ' A' ' 68' ' ' ILE . 5.0 m-30 -69.11 -31.68 70.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.63 -37.96 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.388 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.08 -43.3 68.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -75.41 -37.13 60.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.12 29.82 30.04 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.484 1.115 . . . . 0.0 110.984 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.3 mt-10 76.03 151.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.532 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.91 -49.71 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.554 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.98 -175.19 2.23 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -97.68 111.16 23.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.546 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.708 HG21 ' CE2' ' A' ' 59' ' ' PHE . 2.6 mm -106.1 133.71 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.755 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -130.65 153.54 48.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.2 t -108.41 99.36 8.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.484 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 2.3 mm-40 -88.54 85.19 6.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.254 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.51 -98.79 0.09 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.118 . . . . 0.0 111.068 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -109.58 30.83 6.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.363 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.608 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 10.7 m-85 -145.36 173.14 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.529 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 9.2 tttt -131.09 158.23 40.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.755 ' CG1' HG22 ' A' ' 69' ' ' THR . 0.1 OUTLIER -142.15 110.09 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.685 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -111.06 101.75 10.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.522 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -102.19 146.81 27.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -115.99 155.82 47.47 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -10.51 21.23 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -86.58 -52.4 3.19 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -123.08 172.06 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.597 ' N ' HD13 ' A' ' 82' ' ' ILE . 3.2 tt0 -104.6 51.25 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.524 ' HA ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -109.42 128.47 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.633 ' CH2' ' HA ' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -113.49 106.78 14.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.002 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.548 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.9 t -74.38 145.13 44.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.568 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 129.32 -98.19 0.43 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.608 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -131.46 163.52 27.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.684 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -117.57 91.1 3.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.7 OUTLIER 179.48 56.29 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.047 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . 179.1 39.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -136.82 -30.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 1.0 ' N ' HD13 ' A' ' 92' ' ' LEU . 0.8 OUTLIER 71.59 78.35 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.972 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -54.67 -18.06 4.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.585 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -77.94 -47.66 18.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.481 ' N ' ' CD ' ' A' ' 95' ' ' ARG . 12.7 t0 -60.3 -51.3 70.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 109.311 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.96 HD12 HG11 ' A' ' 46' ' ' VAL . 0.4 OUTLIER -68.61 -49.63 63.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -44.89 -74.02 0.24 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.952 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.763 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 26.1 t-80 52.28 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 0.778 . . . . 0.0 109.573 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.753 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 71.2 m -138.49 135.47 35.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.001 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.12 -109.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.052 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -172.4 -172.25 0.9 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.714 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 2.5 p90 -166.11 143.35 5.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.638 ' HB3' HG22 ' A' ' 26' ' ' VAL . 26.2 t80 -106.73 119.19 38.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.42 ' CB ' ' HG ' ' A' ' 136' ' ' LEU . 0.8 OUTLIER -105.97 140.33 39.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.485 ' CZ ' ' HG3' ' A' ' 182' ' ' ARG . 8.3 tmm_? -110.07 170.46 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.321 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.662 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -60.95 101.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -132.09 -48.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.254 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.788 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.5 OUTLIER -66.39 -22.5 66.24 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 111.038 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.662 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.2 OUTLIER -70.78 -18.07 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.02 46.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.855 HD23 ' HG2' ' A' ' 116' ' ' MET . 4.1 mp -110.85 165.99 11.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.526 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -178.2 3.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.56 -66.32 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 0.9 OUTLIER -39.93 -60.43 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.855 ' HG2' HD23 ' A' ' 112' ' ' LEU . 8.8 tpp -57.89 -44.57 86.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.711 ' HB3' ' CH2' ' A' ' 157' ' ' TRP . 8.9 mtp180 -52.29 -41.55 63.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.56 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.3 mt-10 -71.46 -37.05 71.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.332 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.543 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 0.5 OUTLIER -69.79 -23.35 63.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.663 ' OH ' HD21 ' A' ' 28' ' ' LEU . 6.0 t80 -81.04 -53.52 6.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.692 HG21 HG22 ' A' ' 161' ' ' VAL . 7.9 m -62.27 -32.91 56.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.537 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.7 pt20 -76.04 -48.36 21.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.543 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 7.3 m-70 -58.25 -35.81 72.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.75 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.5 OUTLIER -69.76 -64.16 0.94 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.537 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.2 OUTLIER -49.85 -22.17 1.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.42 4.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.972 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -81.53 3.12 26.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.75 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.9 mmt -71.15 174.45 3.72 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.763 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.02 -156.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.451 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.3 OUTLIER -117.96 -36.44 3.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.678 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.32 86.81 2.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 129' ' ' PRO . 10.5 m -151.59 145.13 24.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 108.282 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.778 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.9 OUTLIER -92.12 123.37 35.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.714 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -101.25 142.95 15.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.483 HD21 ' CG1' ' A' ' 195' ' ' VAL . 0.0 OUTLIER -130.1 100.06 5.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.878 HD12 ' HE1' ' A' ' 162' ' ' MET . 0.6 OUTLIER -86.34 136.35 33.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.589 HD13 ' O ' ' A' ' 136' ' ' LEU . 8.0 mm -123.9 110.19 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.454 HG23 HD22 ' A' ' 136' ' ' LEU . 11.8 p -110.52 178.47 4.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.375 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 1.018 HD21 ' CG ' ' A' ' 150' ' ' PRO . 0.0 OUTLIER -139.44 168.5 19.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.507 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -132.04 -85.49 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.507 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -28.89 -73.35 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 1.185 . . . . 0.0 110.993 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 1.003 ' CG ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -35.04 142.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.481 ' CG ' ' O ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER 164.25 -25.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.518 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -111.93 36.86 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.942 HD21 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.56 -30.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -76.25 119.3 19.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.863 ' N ' HD12 ' A' ' 146' ' ' LEU . 20.4 mm-40 -39.63 107.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.512 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 89.03 128.49 3.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.14 . . . . 0.0 110.975 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.11 3.06 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.536 1.808 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 1.018 ' CG ' HD21 ' A' ' 139' ' ' LEU . 18.3 Cg_endo -74.99 149.95 37.48 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.516 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.2 OUTLIER -101.9 23.0 12.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.516 ' C ' ' O ' ' A' ' 151' ' ' PHE . 23.4 p 29.98 51.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 110' ' ' ILE . 9.8 p -34.94 123.19 0.57 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -74.97 119.28 5.59 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.003 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.494 ' HG3' ' CD2' ' A' ' 196' ' ' TYR . 1.5 mp0 -36.69 -48.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.48 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -47.38 -42.08 21.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.384 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.711 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.5 t90 -59.76 -46.02 90.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.12 . . . . 0.0 108.003 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 136' ' ' LEU . 0.3 OUTLIER -55.49 -45.0 77.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.573 ' O ' ' CB ' ' A' ' 163' ' ' SER . 70.4 t60 -73.35 -17.32 61.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.61 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.632 ' HG2' ' O ' ' A' ' 157' ' ' TRP . 0.0 OUTLIER -81.98 -38.33 25.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.701 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.18 -56.85 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.878 ' HE1' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -57.9 6.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 9.1 t -108.13 100.02 9.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.547 ' O ' ' HB3' ' A' ' 165' ' ' ASN . . . 159.94 47.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 110.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.671 ' OD1' ' CD1' ' A' ' 166' ' ' TRP . 7.1 p30 154.75 -18.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.741 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.56 125.0 13.1 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.0 mt-10 -75.61 91.64 2.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.826 HG12 ' HB3' ' A' ' 198' ' ' LEU . 4.1 m -71.46 128.04 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.764 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -121.34 120.98 36.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 110.395 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.608 ' C ' HG12 ' A' ' 171' ' ' VAL . 19.9 mttt -57.11 143.83 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.764 HG12 ' O ' ' A' ' 169' ' ' THR . 0.2 OUTLIER -174.58 166.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.548 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 96.18 -157.0 21.41 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.529 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 165.82 -133.09 2.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.454 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 21.5 pt20 -131.03 175.68 8.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 4.5 m-20 78.34 0.59 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.707 HG23 ' O ' ' A' ' 176' ' ' THR . 12.5 t -116.47 74.43 0.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 1.011 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.2 OUTLIER -89.64 -38.54 13.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.826 ' HA ' HD21 ' A' ' 184' ' ' LEU . 1.6 m-70 -57.55 -23.53 51.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.63 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -55.41 -61.4 2.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.98 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.2 p -76.02 149.6 37.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -85.84 -49.59 7.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.485 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 27.7 mmt-85 -39.8 -29.21 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.857 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -68.35 -63.91 3.35 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.826 HD21 ' HA ' ' A' ' 178' ' ' HIS . 2.4 mm? -56.01 -18.51 9.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 0.777 . . . . 0.0 109.366 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 -39.58 23.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.607 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . . . -82.93 -39.75 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 102.83 58.58 0.75 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.942 ' CD1' HD21 ' A' ' 145' ' ' LEU . 2.7 mm? -84.93 -52.66 5.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.462 ' C ' ' HG2' ' A' ' 190' ' ' ARG . 13.3 mm-40 67.98 5.02 4.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.329 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HG2' ' C ' ' A' ' 189' ' ' GLU . 5.9 ptm180 162.46 115.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.461 ' SD ' ' CG ' ' A' ' 142' ' ' ASP . 0.3 OUTLIER -166.47 155.19 10.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 m-20 -74.61 123.61 25.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.529 ' O ' ' O ' ' A' ' 173' ' ' GLY . 18.6 tt0 -118.62 122.19 41.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -92.75 150.92 20.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.618 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.512 ' O ' ' O ' ' A' ' 171' ' ' VAL . 44.4 t -138.56 149.28 24.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.766 ' O ' HD23 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -149.2 114.58 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.614 HG23 HG11 ' A' ' 171' ' ' VAL . 61.8 t -87.53 97.23 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.826 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -98.57 107.55 20.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.99 101.8 6.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.477 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -65.63 103.94 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 165' ' ' ASN . 34.9 m . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.361 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 69.7 m80 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 3' ' ' SER . 37.6 mt-30 -116.88 -151.18 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 2' ' ' GLN . 56.3 m 69.35 -58.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 3.5 pt-20 -140.13 84.8 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.342 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.903 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.8 p -131.52 78.31 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.474 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER 35.81 92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 2.2 pptp? -44.22 -38.1 3.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.475 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 7.1 m-20 -65.78 -54.73 23.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.137 . . . . 0.0 109.355 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.712 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.7 tm? -46.75 -65.67 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.4 pt20 -56.3 -35.03 67.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.51 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 23.6 tt0 -68.0 -81.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.809 ' CE2' HG21 ' A' ' 171' ' ' VAL . 64.4 m-85 -43.7 -54.65 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.045 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.012 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.3 t-105 -49.84 -59.03 4.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.033 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.552 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 10.8 t -43.99 -37.84 3.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.69 -47.31 15.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.515 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -41.43 -49.53 3.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.0 t30 55.35 60.51 3.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.0 p -79.95 153.35 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.999 HG13 ' HB2' ' A' ' 22' ' ' ALA . 3.3 p -33.54 142.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 108.76 2.79 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.031 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 109.36 -5.52 31.64 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.046 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -38.58 156.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 0.766 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.89 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 13.6 mmt85 -83.54 121.11 26.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.775 HG11 ' HG ' ' A' ' 38' ' ' LEU . 79.9 t -106.75 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.859 HD13 ' N ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -95.38 141.44 28.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.866 HG12 ' HB3' ' A' ' 104' ' ' TYR . 34.8 m -140.01 104.48 6.76 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.781 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 139.84 24.71 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.901 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.34 48.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -109.55 -31.44 7.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' C ' ' HE1' ' A' ' 35' ' ' MET . . . 65.32 -113.81 6.16 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.096 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' N ' ' HE1' ' A' ' 35' ' ' MET . 0.1 OUTLIER -129.65 150.81 50.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 0.794 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.476 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -174.77 -176.45 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -59.97 -45.08 93.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.558 ' HA ' HG23 ' A' ' 5' ' ' VAL . 2.3 m-20 -50.68 -57.91 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.59 ' HE1' ' C ' ' A' ' 30' ' ' GLY . 1.0 OUTLIER -52.09 -52.46 51.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 69.0 m -58.21 -24.91 60.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.903 ' HB2' HG21 ' A' ' 5' ' ' VAL . 14.3 t90 -78.85 -32.53 46.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 108.015 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.775 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -71.03 -56.84 5.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.18 -42.45 98.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.167 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.77 -27.47 61.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.622 ' NE2' ' CH2' ' A' ' 37' ' ' TRP . 0.0 OUTLIER -83.52 -38.84 21.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.96 53.95 0.3 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.454 ' HE2' ' CG1' ' A' ' 18' ' ' VAL . 8.3 m-85 -124.98 166.95 15.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.411 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -84.8 86.53 7.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.615 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.701 HG12 HD11 ' A' ' 82' ' ' ILE . 60.8 t -73.0 116.0 14.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.861 HG21 HG13 ' A' ' 97' ' ' ILE . 1.6 p -143.69 141.64 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.797 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -177.78 -174.83 44.47 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.023 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -131.14 162.39 30.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 0.772 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -124.09 127.49 47.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.672 ' HB2' ' HB3' ' A' ' 28' ' ' LEU . 0.8 OUTLIER -95.77 70.11 2.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.683 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.43 132.91 13.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.97 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -98.46 -43.71 6.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.41 -45.43 87.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -60.44 -35.11 75.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.88 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 2.8 t -62.76 -54.04 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -59.06 -40.11 84.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.335 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -65.87 -33.18 75.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.281 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.1 m-30 -69.9 -39.55 76.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.88 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.7 m-30 -72.14 -32.87 67.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -78.12 -42.42 32.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -63.48 -48.07 79.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -76.21 -37.46 57.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 81.86 32.09 30.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.48 1.112 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.4 mt-10 82.6 151.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.776 . . . . 0.0 110.273 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.21 -49.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.34 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.95 -169.39 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.61 111.05 23.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.619 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.493 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 7.3 mm -95.12 131.03 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.469 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -127.11 144.29 51.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.42 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.1 t -117.18 91.39 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.633 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 0.8 OUTLIER -93.83 96.87 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.99 -110.77 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -109.5 12.51 24.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.651 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 22.0 m-30 -120.33 148.12 44.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.726 ' HD2' HG11 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -103.87 156.91 17.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.866 HG13 ' HB2' ' A' ' 85' ' ' TRP . 26.1 t -139.15 98.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.692 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.3 t80 -100.4 101.25 12.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.969 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.75 134.18 42.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.24 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.42 155.8 39.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 107.23 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.488 1.783 . . . . 0.0 111.044 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.61 -56.44 0.72 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.701 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -107.87 159.65 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.625 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -102.3 49.54 0.85 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.626 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -100.95 120.13 50.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.023 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -107.62 103.29 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 108.044 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.53 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.1 t -73.69 140.79 46.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.281 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.539 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.24 -98.93 0.29 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.115 . . . . 0.0 110.97 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.651 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -134.49 163.35 29.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.735 ' CZ ' HD21 ' A' ' 127' ' ' LEU . 13.2 t80 -113.22 107.73 16.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 164.29 42.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 111.039 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.633 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . . . -136.35 -42.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.095 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -80.91 -172.44 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.754 ' O ' HG22 ' A' ' 97' ' ' ILE . 2.7 m -142.79 93.7 2.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.394 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.877 ' HB3' ' CD1' ' A' ' 127' ' ' LEU . . . -49.08 -15.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 127' ' ' LEU . 7.9 ttt180 -68.24 -55.96 10.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -69.11 -55.68 9.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.954 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -56.0 -57.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.694 ' N ' HD13 ' A' ' 97' ' ' ILE . . . -55.84 -73.31 0.44 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.631 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.5 OUTLIER 59.25 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.777 . . . . 0.0 109.575 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.769 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 18.0 t -143.23 134.81 26.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.274 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.046 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.58 -112.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.012 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.4 -179.85 7.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -157.5 121.07 4.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.006 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.866 ' HB3' HG12 ' A' ' 26' ' ' VAL . 52.9 t80 -90.12 114.78 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.918 ' CB ' HD12 ' A' ' 136' ' ' LEU . 3.5 t0 -101.76 127.39 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 0.3 OUTLIER -101.24 159.03 15.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.78 ' HB1' HD21 ' A' ' 139' ' ' LEU . . . -49.28 107.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.443 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -140.02 -56.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.82 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.81 -17.67 64.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.493 HD13 ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -69.35 -17.54 21.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.493 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -83.13 -54.79 4.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.91 169.98 2.96 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.492 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.96 -161.52 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.529 1.804 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 117' ' ' ARG . . . -76.07 -65.07 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 114' ' ' ALA . 4.0 m-20 -39.43 -62.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.515 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 5.8 tpt -52.67 -46.22 67.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.671 ' O ' HG13 ' A' ' 121' ' ' VAL . 1.9 mtp180 -51.2 -60.48 3.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.246 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.548 ' HG2' HG21 ' A' ' 161' ' ' VAL . 6.4 mt-10 -49.15 -44.72 42.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 9.7 mmt180 -66.52 -25.17 66.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 5.2 t80 -79.05 -48.75 13.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.671 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.0 OUTLIER -66.07 -39.1 83.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.545 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -67.4 -50.58 58.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.545 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 37.9 m170 -61.6 -39.42 91.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.583 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.733 HD13 ' SD ' ' A' ' 128' ' ' MET . 0.7 OUTLIER -64.41 -64.89 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.61 ' HB3' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -53.76 -22.14 8.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 110.289 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -69.2 -60.94 2.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.877 ' CD1' ' HB3' ' A' ' 94' ' ' ALA . 0.5 OUTLIER -73.58 -11.09 60.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.733 ' SD ' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -53.01 176.6 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.631 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.01 -154.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.507 1.793 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 201' ' ' VAL . 15.0 mm100 -117.32 -38.39 3.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.339 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.634 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.51 88.92 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 13.7 m -149.69 147.52 28.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 108.328 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.796 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -91.05 118.59 30.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.551 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -97.69 149.6 19.26 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.961 HD13 HG22 ' A' ' 197' ' ' VAL . 9.8 tp -140.23 99.17 3.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.787 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.918 HD12 ' CB ' ' A' ' 105' ' ' ASP . 0.8 OUTLIER -86.32 142.83 28.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.708 HD12 HG22 ' A' ' 195' ' ' VAL . 8.5 mm -125.67 105.6 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.246 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.99 ' C ' HD13 ' A' ' 139' ' ' LEU . 80.8 p -104.35 176.52 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.99 HD13 ' C ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -150.82 171.42 17.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.341 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.548 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.4 OUTLIER -131.77 -74.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.585 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -25.18 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.736 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -25.38 135.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.488 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 16.0 pt20 174.58 -31.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.39 47.37 2.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.982 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.63 -30.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.249 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.866 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.7 OUTLIER -90.56 148.13 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.707 ' H ' HD23 ' A' ' 146' ' ' LEU . 8.5 pt-20 -66.91 102.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.33 129.13 4.36 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.32 5.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.474 ' CG ' ' O ' ' A' ' 142' ' ' ASP . 18.3 Cg_endo -75.03 133.89 17.09 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 0.0 110.959 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 110' ' ' ILE . 6.1 m-85 -87.95 14.64 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.481 ' O ' ' OG ' ' A' ' 152' ' ' SER . 3.8 p 37.0 60.76 0.96 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.478 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.5 t -43.65 118.24 2.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.51 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.3 Cg_endo -75.03 121.33 6.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.733 ' CG ' ' CE1' ' A' ' 196' ' ' TYR . 2.3 mp0 -37.2 -39.57 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.441 ' CG2' ' N ' ' A' ' 157' ' ' TRP . 0.8 OUTLIER -58.36 -47.52 83.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.411 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.638 ' O ' ' HG2' ' A' ' 160' ' ' ARG . 60.3 t90 -53.68 -53.98 44.33 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.783 HD23 ' CG ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -50.94 -40.8 58.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.644 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -73.23 -18.37 61.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.588 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.655 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -83.16 -37.67 23.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.689 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -114.06 -60.53 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.783 ' CG ' HD23 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -57.2 6.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.689 ' H ' ' C ' ' A' ' 161' ' ' VAL . 28.8 t -98.04 101.63 13.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.024 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.575 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 142.72 62.57 0.03 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.487 1.117 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.575 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.8 m-20 150.43 -27.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.628 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.69 127.79 15.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.3 95.16 4.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.163 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.655 HG12 HD23 ' A' ' 198' ' ' LEU . 31.7 m -77.56 136.85 23.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.652 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -130.86 136.75 48.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 26.0 tttm -66.52 126.25 28.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.809 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -156.0 165.25 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.519 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 60.52 -155.93 31.94 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.558 1.161 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 134.26 -67.62 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 176' ' ' THR . 8.3 tt0 -35.98 144.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . 0.568 ' HA ' ' O ' ' A' ' 191' ' ' MET . 4.8 p-10 -67.69 61.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 176' ' ' THR . 3.7 t -80.41 73.37 7.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 1.147 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.704 HD12 ' C ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -53.53 -20.38 4.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.587 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.436 ' OG ' ' ND2' ' A' ' 6' ' ' ASN . 15.0 t -73.24 -73.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.982 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.75 136.85 41.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.974 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.423 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -72.18 -29.79 64.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.45 -24.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -67.41 -54.35 20.32 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.593 ' N ' HD22 ' A' ' 184' ' ' LEU . 2.0 mm? -72.94 -14.9 61.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 0.739 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.33 -69.17 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.719 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -68.39 -32.68 72.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.48 68.74 1.16 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.982 HD13 HD21 ' A' ' 145' ' ' LEU . 3.1 mm? -86.4 -52.18 5.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 77.99 -4.43 2.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.337 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.497 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 1.3 mtt180 158.76 103.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.585 ' HA ' ' CD2' ' A' ' 141' ' ' TYR . 0.2 OUTLIER -149.04 142.07 24.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.47 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.3 OUTLIER -59.26 128.8 38.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.434 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -130.92 121.73 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.452 ' N ' ' CD2' ' A' ' 194' ' ' HIS . 0.2 OUTLIER -103.93 155.35 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.62 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.708 HG22 HD12 ' A' ' 137' ' ' ILE . 24.1 t -132.48 152.16 35.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.733 ' CE1' ' CG ' ' A' ' 155' ' ' GLN . 0.0 OUTLIER -145.25 118.93 9.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.961 HG22 HD13 ' A' ' 135' ' ' LEU . 41.5 t -85.43 106.84 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.756 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -105.64 102.77 12.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.457 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.92 98.07 4.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.2 100.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' ASN . 28.7 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.8 m170 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -109.71 46.03 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -65.37 -65.65 0.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 110.013 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -140.53 84.62 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 110.296 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.7 p -131.81 78.23 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' C ' ' O ' ' A' ' 5' ' ' VAL . 1.1 m-80 33.67 90.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -45.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 12' ' ' TYR . 1.7 m-20 -62.83 -46.46 87.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.761 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.5 tm? -50.96 -65.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.514 ' O ' ' CB ' ' A' ' 14' ' ' SER . 20.4 pt20 -57.33 -33.82 68.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 1.7 tp60 -67.91 -80.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.687 ' CE2' HG21 ' A' ' 171' ' ' VAL . 47.0 m-85 -44.13 -54.75 5.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.737 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.68 -55.46 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 4.1 m -48.23 -36.2 13.39 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -82.24 -50.85 8.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -38.6 -43.01 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.2 t-20 64.17 50.57 2.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 22' ' ' ALA . 58.0 t -61.05 137.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.972 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -43.31 148.96 0.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 102.84 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.987 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 112.54 -9.88 26.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.535 1.147 . . . . 0.0 110.938 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.972 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.17 155.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.902 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 14.6 mmt85 -78.47 116.51 18.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.055 HG11 HD13 ' A' ' 38' ' ' LEU . 54.5 t -99.4 97.25 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.839 HD13 ' N ' ' A' ' 26' ' ' VAL . 1.5 tm? -81.33 152.86 27.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.863 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -162.15 124.14 1.67 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 1.011 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.96 -64.96 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.479 1.778 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.011 HD13 ' HB2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -144.36 65.03 1.29 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' CD1' ' A' ' 104' ' ' TYR . 34.7 t -112.24 -7.29 14.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -31.23 94.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.515 1.135 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 29' ' ' CYS . 1.2 mtpm? -119.33 -102.4 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.756 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.5 OUTLIER 178.64 -43.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.969 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' HA ' ' HG ' ' A' ' 36' ' ' SER . 15.8 mm-40 -75.45 -51.28 13.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' HA ' HG23 ' A' ' 5' ' ' VAL . 0.2 OUTLIER -51.45 -58.04 7.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.423 ' CG ' ' H ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -60.14 -61.53 2.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 110.994 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.516 ' HG ' ' HA ' ' A' ' 33' ' ' GLN . 94.7 p -44.45 -31.37 1.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.4 ' HD1' HG11 ' A' ' 5' ' ' VAL . 26.9 t90 -71.68 -49.78 36.56 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.508 1.13 . . . . 0.0 107.996 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.055 HD13 HG11 ' A' ' 24' ' ' VAL . 19.6 mt -62.07 -66.96 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.8 p -45.52 -47.09 14.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.24 -24.69 45.53 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LEU . 18.3 mm-40 -91.9 -23.94 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 0.788 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.5 72.29 0.96 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -137.59 168.82 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.46 ' CD2' ' HE ' ' A' ' 23' ' ' ARG . 0.2 OUTLIER -93.05 82.4 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.588 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.865 HG12 HD11 ' A' ' 82' ' ' ILE . 58.3 t -75.7 106.67 5.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.587 HG23 ' HB3' ' A' ' 83' ' ' GLU . 1.8 p -139.62 110.68 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.863 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -156.12 179.29 32.13 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.956 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -114.18 169.0 9.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.447 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -126.78 99.97 5.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.863 HD23 ' HB3' ' A' ' 28' ' ' LEU . 3.0 mm? -68.18 72.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.746 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.2 128.2 10.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.573 1.171 . . . . 0.0 109.963 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -96.44 -53.49 3.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.257 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -35.71 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.746 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -70.67 -37.52 73.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.573 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -58.67 -49.3 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.24 -46.54 86.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.268 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -58.83 -36.28 74.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.443 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -66.6 -46.88 74.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.626 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 4.4 m-30 -68.11 -24.67 65.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -36.53 27.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 110.38 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.21 -39.55 68.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 110.29 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -35.11 21.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.99 39.61 32.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.2 mt-10 75.31 148.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.317 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.6 OUTLIER 161.31 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.03 -174.7 2.04 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.8 113.59 25.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.626 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 39.3 mm -106.39 120.73 57.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.765 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -122.74 150.6 42.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.43 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 t -109.59 108.9 19.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.14 85.56 4.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.28 -89.82 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.549 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 33.1 t70 -118.19 32.03 6.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.641 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 18.8 m-85 -144.91 173.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 111.053 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.583 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -132.43 156.72 46.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.765 HG13 HG22 ' A' ' 69' ' ' THR . 1.5 m -142.47 112.35 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.689 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.51 106.27 15.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 111.038 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.18 132.08 45.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.45 156.17 35.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 106.04 2.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.802 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 135.67 -55.08 0.73 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.865 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -108.9 164.62 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.599 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -106.45 51.73 0.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.55 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.54 112.58 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.956 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -102.01 105.52 16.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 107.984 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.571 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.4 t -74.43 139.55 44.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 108.32 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.583 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 137.27 -110.45 0.77 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.488 1.118 . . . . 0.0 111.026 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.641 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -123.88 164.15 19.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.776 . . . . 0.0 109.345 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.714 ' CB ' HD21 ' A' ' 50' ' ' LEU . 12.1 t80 -104.0 107.4 18.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.503 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 163.91 37.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.961 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.87 7.16 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -137.74 165.65 25.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.259 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -113.04 91.98 3.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.423 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.676 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -46.44 -19.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -84.5 -51.76 6.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 76.6 m-20 -55.98 -48.73 75.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.055 HD13 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -81.06 -33.95 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 1.055 ' N ' HD13 ' A' ' 97' ' ' ILE . . . -56.14 -78.1 0.13 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.951 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.645 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.32 -86.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 0.752 . . . . 0.0 109.629 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.811 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 10.4 t -147.85 141.86 25.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 108.347 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.97 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.69 -108.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.737 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -158.39 167.78 28.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.666 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -149.16 113.18 5.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 111.029 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.713 ' CZ ' HD13 ' A' ' 137' ' ' ILE . 25.1 t80 -91.25 137.8 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.468 ' HB3' ' HG ' ' A' ' 136' ' ' LEU . 11.8 t0 -126.16 144.7 50.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 5.6 tpp180 -105.05 154.71 19.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.857 ' HB2' ' HA ' ' A' ' 138' ' ' THR . . . -46.1 99.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.94 -40.96 2.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.872 ' CE ' HD11 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -65.82 -30.23 70.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.706 HG21 ' HB ' ' A' ' 138' ' ' THR . 0.1 OUTLIER -70.36 -10.17 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.409 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -102.0 -35.24 9.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.863 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.2 mp -89.55 162.76 35.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.624 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.2 Cg_endo -75.03 -155.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.546 1.814 . . . . 0.0 111.004 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.93 -68.03 0.74 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 119' ' ' ARG . 10.5 t70 -40.17 -60.34 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.863 ' HG2' HD23 ' A' ' 112' ' ' LEU . 9.9 tpp -50.85 -46.99 60.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.624 ' HB2' ' O ' ' A' ' 113' ' ' PRO . 0.0 OUTLIER -52.81 -60.84 2.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.673 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.6 mt-10 -48.29 -38.83 19.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.546 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -72.67 -25.23 61.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.624 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 1.2 t80 -78.29 -53.26 7.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.633 HG21 HG22 ' A' ' 161' ' ' VAL . 1.4 m -61.72 -41.6 91.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 11.3 pt20 -66.09 -48.41 71.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 54.1 m170 -60.78 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.71 ' O ' HD12 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -66.45 -60.55 2.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -55.29 -22.35 18.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -71.51 -62.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 124' ' ' LEU . 0.0 OUTLIER -87.31 25.61 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 109.342 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.679 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 0.1 OUTLIER -92.09 177.23 2.22 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.679 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.514 ' CG ' ' N ' ' A' ' 131' ' ' ALA . 8.5 pt20 -112.56 -46.82 3.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.098 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.811 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.36 100.93 4.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.153 . . . . 0.0 109.338 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.652 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -156.49 160.13 39.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 108.304 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.436 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -101.45 108.0 19.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.021 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.527 ' CA ' ' CD2' ' A' ' 103' ' ' PHE . . . -85.21 139.37 17.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.938 HD13 HG22 ' A' ' 197' ' ' VAL . 12.0 tp -133.65 98.67 4.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 0.758 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.631 ' HB2' HD21 ' A' ' 198' ' ' LEU . 0.4 OUTLIER -86.1 134.52 33.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.713 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 3.6 mp -120.23 126.84 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.857 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 23.4 p -139.52 -179.92 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.413 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.936 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -146.54 174.35 11.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.497 ' CG ' ' HB2' ' A' ' 192' ' ' ASP . 4.1 pt-20 -130.07 -61.28 0.99 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 0.0 110.313 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.637 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.9 OUTLIER -37.17 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.76 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -29.39 146.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.512 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.0 OUTLIER 162.82 -21.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -133.37 47.62 2.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.955 ' C ' HD22 ' A' ' 145' ' ' LEU . 0.0 OUTLIER 176.96 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.793 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -87.54 158.89 18.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.581 ' H ' HD23 ' A' ' 146' ' ' LEU . 3.6 mm-40 -73.41 105.83 4.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.15 124.73 2.48 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -75.02 112.81 3.65 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.504 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 127.61 10.81 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.483 1.781 . . . . 0.0 111.039 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.55 18.77 2.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 153' ' ' VAL . 7.9 p 40.88 52.81 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.051 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.531 HG11 ' HG3' ' A' ' 109' ' ' MET . 7.9 p -37.44 119.2 0.87 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.511 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.93 116.99 4.76 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.466 1.772 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.447 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.5 tm0? -36.92 -47.77 0.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.511 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.2 OUTLIER -45.15 -45.37 11.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.728 ' CZ2' HG11 ' A' ' 161' ' ' VAL . 63.3 t90 -57.39 -52.19 66.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.872 HD11 ' CE ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -51.37 -42.24 61.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.584 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.5 t60 -74.1 -17.89 60.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.848 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -81.83 -39.48 23.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.848 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -113.43 -56.92 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.899 ' HB3' HG11 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -57.77 6.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 111.04 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.676 ' H ' ' C ' ' A' ' 161' ' ' VAL . 33.2 t -104.75 96.96 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.587 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 169.27 46.35 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.715 ' O ' HG22 ' A' ' 201' ' ' VAL . 12.7 m-20 149.53 -15.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.41 128.93 17.02 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.518 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 10.9 mt-10 -82.85 91.01 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.899 HG11 ' HB3' ' A' ' 162' ' ' MET . 2.4 m -70.76 126.19 30.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.52 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.4 OUTLIER -117.25 152.02 35.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 110.423 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.41 ' HB3' ' NE2' ' A' ' 155' ' ' GLN . 7.8 pttt -83.04 133.93 35.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.918 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -161.07 169.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.13 -164.26 13.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 179.62 -163.41 30.7 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.443 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 7.4 pm0 -116.76 -177.69 3.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 59.32 14.62 3.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.665 HG23 ' O ' ' A' ' 176' ' ' THR . 8.9 t -116.52 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 1.028 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -89.68 -37.4 14.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.333 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.475 ' HA ' HD11 ' A' ' 184' ' ' LEU . 18.6 m80 -57.79 -44.82 86.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.635 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 178' ' ' HIS . 24.8 p -38.31 -68.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t -73.21 119.59 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.541 1.151 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 182' ' ' ARG . . . -59.84 -51.66 68.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 181' ' ' ALA . 27.8 mtt180 -38.07 -45.18 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -54.47 -62.68 5.93 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.475 HD11 ' HA ' ' A' ' 178' ' ' HIS . 3.7 mt -51.68 -34.89 40.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 0.793 . . . . 0.0 109.311 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -50.12 74.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.801 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -73.92 -40.09 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.61 77.77 1.38 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.918 ' CD2' HD11 ' A' ' 145' ' ' LEU . 1.6 mp -111.74 -21.28 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.759 ' HA ' HD12 ' A' ' 177' ' ' LEU . 14.7 pt-20 36.14 30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.307 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 161.25 100.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.936 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.1 OUTLIER -156.43 144.62 19.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 2.3 m-20 -81.42 125.39 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' A' ' 176' ' ' THR . 0.5 OUTLIER -115.78 128.76 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.316 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.462 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.2 OUTLIER -112.45 122.92 49.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.559 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.587 HG22 HG13 ' A' ' 137' ' ' ILE . 31.6 t -114.06 164.78 9.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.619 ' O ' HD12 ' A' ' 135' ' ' LEU . 20.3 m-85 -147.34 139.15 24.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.938 HG22 HD13 ' A' ' 135' ' ' LEU . 54.2 t -106.4 98.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.881 HD13 ' SD ' ' A' ' 162' ' ' MET . 0.1 OUTLIER -99.02 106.74 19.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.5 tt0 -76.16 103.27 6.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.652 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 2.9 ttm-85 -69.37 100.98 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 165' ' ' ASN . 29.9 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 19.7 t60 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -68.72 -72.77 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.6 -80.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 4' ' ' GLU . 0.7 OUTLIER -138.95 84.79 2.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.286 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.584 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.1 p -131.7 78.25 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.49 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER 35.03 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -38.5 -45.59 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 12' ' ' TYR . 4.1 m-20 -60.15 -56.79 17.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.859 HD23 ' CE1' ' A' ' 104' ' ' TYR . 2.7 tm? -45.06 -64.88 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.476 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -53.32 -35.91 60.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.32 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -70.03 -74.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.669 ' CE2' HG13 ' A' ' 171' ' ' VAL . 42.4 m-85 -44.22 -54.52 5.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.899 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 5.1 t-105 -53.11 -55.45 23.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 107.98 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.7 m -46.03 -34.47 4.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.991 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -84.14 -52.7 6.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 109.995 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.569 HD21 ' OG ' ' A' ' 133' ' ' SER . 0.4 OUTLIER -38.46 -63.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.289 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 64.93 52.57 1.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' O ' ' C ' ' A' ' 19' ' ' VAL . 14.8 p -67.12 155.31 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.005 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.7 p -32.35 140.68 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.593 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.3 Cg_endo -74.98 110.62 3.15 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.554 1.818 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 106.42 -4.84 37.73 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.007 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -41.4 159.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 0.741 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.915 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.8 mmt85 -78.58 123.14 26.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 HD23 ' A' ' 38' ' ' LEU . 55.5 t -105.02 102.67 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.732 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 3.5 tm? -90.2 137.01 32.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.991 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -136.32 94.34 13.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.956 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.96 123.27 7.78 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.46 1.769 . . . . 0.0 110.976 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 29.88 40.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -117.94 -15.02 10.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -29.59 97.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' A' ' 106' ' ' ARG . 0.2 OUTLIER -104.47 -98.6 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.549 ' O ' ' CB ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -178.44 -45.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -77.51 -48.12 17.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.951 ' O ' HD22 ' A' ' 38' ' ' LEU . 8.7 p-10 -53.23 -45.96 68.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.571 ' HB2' HG11 ' A' ' 45' ' ' VAL . 18.9 ptm -76.62 -50.17 14.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 32' ' ' SER . 25.7 t -50.23 -33.9 21.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.944 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.471 ' CE3' HD12 ' A' ' 38' ' ' LEU . 17.2 t90 -77.67 -55.37 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.022 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.951 HD22 ' O ' ' A' ' 34' ' ' ASP . 0.0 OUTLIER -46.89 -67.08 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.475 ' H ' HG21 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -60.39 -52.56 64.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.032 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -53.24 -17.78 5.99 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 37' ' ' TRP . 4.5 tp-100 -92.39 -32.68 14.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.761 . . . . 0.0 110.293 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 119.11 60.99 0.27 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.486 1.117 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.424 ' HE2' HG13 ' A' ' 18' ' ' VAL . 28.2 m-85 -139.25 165.87 26.05 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.459 ' O ' HG12 ' A' ' 46' ' ' VAL . 2.3 t-80 -87.13 80.28 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.576 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.063 HG12 HD11 ' A' ' 82' ' ' ILE . 78.9 t -72.35 115.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.676 ' CG1' HD13 ' A' ' 97' ' ' ILE . 1.2 p -148.96 107.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.991 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -147.64 -173.09 18.39 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.12 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.38 166.26 20.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.5 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -128.18 134.83 49.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.636 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.6 OUTLIER -101.37 74.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.798 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -152.07 133.03 14.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.05 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -98.25 -49.52 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.24 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.317 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.798 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -69.08 -34.23 74.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.624 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.0 OUTLIER -63.34 -51.21 73.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' N ' HG12 ' A' ' 55' ' ' VAL . 4.4 mm-40 -60.02 -42.91 95.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.0 -36.72 82.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -66.29 -42.99 87.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 110.956 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.659 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 2.6 m-30 -71.76 -26.14 62.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -40.46 34.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.36 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.1 -44.14 69.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 29.7 mtt85 -77.27 -37.12 53.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.52 37.12 24.61 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.515 1.134 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 16.9 mt-10 73.08 149.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 0.773 . . . . 0.0 110.27 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.498 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.8 OUTLIER 165.5 -51.72 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.093 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -74.97 -173.51 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.12 114.09 24.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.602 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.4 mm -100.26 130.22 49.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.501 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -128.72 153.43 47.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.7 m -100.71 134.0 44.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -142.26 85.34 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.42 -114.38 5.83 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.04 24.99 7.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 0.799 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.621 ' CB ' ' HB3' ' A' ' 88' ' ' ASP . 87.7 m-85 -140.52 173.41 11.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.672 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 tttt -126.44 176.23 7.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.989 HG13 ' HB2' ' A' ' 85' ' ' TRP . 70.6 t -142.37 102.64 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.676 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -108.52 101.57 10.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 110.968 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -110.23 141.33 43.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -107.19 167.31 9.61 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.3 Cg_endo -74.96 -48.12 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -58.75 -54.12 40.53 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.063 HD11 HG12 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -115.24 148.76 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 0.0 109.267 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.907 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.14 56.17 1.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.342 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.897 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -108.85 112.32 39.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.12 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -100.01 99.54 10.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 108.015 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.466 ' SG ' HG23 ' A' ' 55' ' ' VAL . 4.8 t -72.87 140.45 47.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 108.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.672 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.49 -100.69 0.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.621 ' HB3' ' CB ' ' A' ' 74' ' ' PHE . 3.6 p-10 -118.74 164.06 15.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.639 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 5.6 t80 -127.01 96.19 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 169.67 58.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -149.9 -42.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.055 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -79.18 -175.84 4.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 97' ' ' ILE . 4.4 m -125.3 86.73 2.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 110.395 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 1.036 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -53.04 -13.91 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -80.98 -56.62 3.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 93' ' ' THR . 15.6 m-20 -66.56 -33.85 76.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.794 HG23 ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -80.8 -34.44 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.501 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -74.17 -76.66 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.562 1.164 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.0 OUTLIER 66.68 -78.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 0.774 . . . . 0.0 109.593 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.778 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -148.15 144.05 27.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 108.302 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.007 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.75 -111.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.899 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -167.04 172.31 10.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.663 ' N ' HH22 ' A' ' 200' ' ' ARG . 0.1 OUTLIER -151.7 152.13 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 111.024 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.859 ' CE1' HD23 ' A' ' 9' ' ' LEU . 3.1 t80 -115.55 117.73 31.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.834 ' CB ' HD12 ' A' ' 136' ' ' LEU . 2.0 t0 -101.71 141.04 35.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -111.65 172.36 6.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.339 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.667 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -61.45 88.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -121.45 -49.79 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.61 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.09 -31.36 72.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.801 HG22 HG12 ' A' ' 153' ' ' VAL . 0.1 OUTLIER -63.96 -11.61 9.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.444 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -88.72 -62.92 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.54 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -62.69 167.85 5.17 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.568 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.01 -162.61 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.483 1.781 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -73.41 -66.23 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.3 m-20 -39.47 -63.12 0.59 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.568 ' HB3' ' HD2' ' A' ' 113' ' ' PRO . 31.2 tpp -51.96 -46.79 64.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.897 ' O ' HG13 ' A' ' 121' ' ' VAL . 8.3 mtm180 -54.83 -37.58 66.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.523 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.3 mt-10 -66.32 -48.69 69.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.468 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -67.96 -20.16 65.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.438 ' CG ' HD11 ' A' ' 112' ' ' LEU . 1.6 t80 -75.63 -52.44 10.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -62.54 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.553 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -60.25 -50.2 74.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 8.5 m80 -55.24 -39.72 70.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.6 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.555 ' O ' ' HG2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -62.26 -64.95 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.655 ' HG3' ' CE2' ' A' ' 166' ' ' TRP . 13.6 mm-40 -53.33 -19.13 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -73.04 -57.66 3.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.036 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -87.71 2.62 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.713 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.5 mmt -65.72 177.09 0.76 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -74.98 -95.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.499 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER 171.69 -48.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.26 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.704 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -125.28 83.03 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 100' ' ' CYS . 4.7 m -148.84 165.35 31.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.093 . . . . 0.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.684 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -111.19 108.68 18.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.613 ' N ' HH21 ' A' ' 200' ' ' ARG . . . -88.52 153.01 23.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.533 ' CD2' ' CG1' ' A' ' 195' ' ' VAL . 0.5 OUTLIER -139.1 99.44 3.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 0.744 . . . . 0.0 109.276 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.854 HD23 HG23 ' A' ' 138' ' ' THR . 0.3 OUTLIER -82.78 135.28 35.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.754 HG13 HG22 ' A' ' 195' ' ' VAL . 3.5 mp -125.86 94.6 2.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.933 ' O ' HD13 ' A' ' 139' ' ' LEU . 32.4 p -103.83 172.16 6.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.389 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.933 HD13 ' O ' ' A' ' 138' ' ' THR . 0.1 OUTLIER -129.5 174.56 9.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -132.77 -73.55 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 142' ' ' ASP . 49.3 t80 -35.07 -71.19 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.147 . . . . 0.0 110.963 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.738 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.4 138.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.459 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 1.6 pp0? 173.63 -31.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.239 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -125.06 48.47 2.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.982 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -30.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.905 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.6 OUTLIER -88.9 151.22 22.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.735 ' H ' HD23 ' A' ' 146' ' ' LEU . 28.3 mm-40 -59.7 101.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 79.97 137.56 1.71 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 113.61 3.83 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.541 1.811 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.483 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.02 131.43 14.25 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.504 1.792 . . . . 0.0 110.991 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.467 ' CG ' ' NH2' ' A' ' 117' ' ' ARG . 0.1 OUTLIER -84.13 16.46 2.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.96 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.5 p 35.68 51.01 0.65 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.801 HG12 HG22 ' A' ' 110' ' ' ILE . 11.2 p -35.75 117.98 0.64 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.519 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.99 133.45 16.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.598 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 1.9 tt0 -46.22 -48.13 17.81 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.348 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.519 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.0 OUTLIER -43.93 -44.46 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.709 ' HE3' HD12 ' A' ' 158' ' ' LEU . 76.4 t90 -58.38 -52.38 65.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.709 HD12 ' HE3' ' A' ' 157' ' ' TRP . 1.6 mp -52.75 -35.83 56.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.65 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -79.57 -18.24 52.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.767 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.73 -38.54 23.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.767 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.2 OUTLIER -114.16 -57.15 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.678 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -59.92 6.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.65 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 12.3 t -93.58 107.18 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.992 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.593 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.84 59.89 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.593 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 12.1 m-20 147.6 -26.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 0.773 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.678 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.93 133.37 20.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 107.983 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.4 mt-10 -93.9 100.91 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.836 HG12 HD23 ' A' ' 198' ' ' LEU . 26.7 m -74.86 130.08 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.587 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -120.33 141.3 50.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.4 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.473 ' C ' HG23 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -59.41 131.95 52.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 0.0 109.287 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.918 HG21 HG23 ' A' ' 197' ' ' VAL . 98.6 t -155.8 170.01 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.587 ' N ' HG12 ' A' ' 171' ' ' VAL . . . 64.56 -172.26 18.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.551 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -174.39 -140.16 3.19 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 3.5 pm0 -125.23 175.04 7.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 67.44 18.1 10.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.268 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 176' ' ' THR . 9.6 t -116.43 74.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.3 tm? -78.34 -37.05 45.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -84.48 46.62 1.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.617 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 176' ' ' THR . 32.1 t -137.44 -44.7 0.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.604 ' HB3' ' HE3' ' A' ' 191' ' ' MET . 4.8 t -93.83 118.8 31.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -57.2 -35.36 69.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.476 ' NH2' ' NH2' ' A' ' 106' ' ' ARG . 1.3 mmt180 -57.95 -17.58 17.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.915 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -75.46 -42.03 28.56 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.613 ' N ' HD22 ' A' ' 184' ' ' LEU . 1.2 mm? -85.67 -14.71 44.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -80.33 -48.2 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.637 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -89.94 -29.58 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.47 68.37 1.24 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.982 ' CD1' HD11 ' A' ' 145' ' ' LEU . 3.0 mm? -86.15 -36.24 19.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.553 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 4.8 pt-20 49.54 19.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.553 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 153.27 96.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.604 ' HE3' ' HB3' ' A' ' 180' ' ' SER . 1.4 ptt? -153.3 155.18 36.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 110.993 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.406 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -84.52 127.82 34.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.551 ' O ' ' O ' ' A' ' 173' ' ' GLY . 28.5 tt0 -118.47 111.46 18.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.267 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -98.02 122.74 41.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.566 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.754 HG22 HG13 ' A' ' 137' ' ' ILE . 47.1 t -112.72 162.24 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 26.1 m-85 -155.2 133.43 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.918 HG23 HG21 ' A' ' 171' ' ' VAL . 53.6 t -93.93 105.65 17.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.836 HD23 HG12 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -96.53 104.62 16.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.52 96.76 4.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 110.292 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.663 HH22 ' N ' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -66.59 97.59 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.322 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.499 ' C ' ' O ' ' A' ' 130' ' ' GLN . 35.9 m . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.696 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -39.7 -36.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.08 . . . . 0.0 110.335 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -58.41 7.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.984 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.519 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 2.0 pt-20 -140.09 84.91 1.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.842 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.2 p -131.72 78.43 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.499 ' O ' ' O ' ' A' ' 5' ' ' VAL . 12.0 m-80 37.33 94.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -45.75 -37.66 6.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -66.84 -48.51 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 109.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' C ' HD13 ' A' ' 9' ' ' LEU . 3.3 tm? -51.42 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.485 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.7 OUTLIER -55.84 -33.76 64.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 5.9 tp60 -69.33 -79.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.507 ' CE2' HG21 ' A' ' 171' ' ' VAL . 40.1 m-85 -44.17 -53.47 6.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.055 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.5 t-105 -51.37 -57.13 9.75 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 5.9 m -47.03 -34.67 5.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 m -82.17 -44.81 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -46.45 -41.47 13.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 23.6 t-20 64.92 42.78 4.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 37.8 t -48.41 145.03 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.136 HG23 ' HB2' ' A' ' 22' ' ' ALA . 2.4 m -53.26 150.95 10.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.62 2.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.57 -8.57 28.22 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.136 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -41.0 153.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.767 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.924 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 23.3 mmt85 -90.66 132.56 35.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.736 HG11 HD13 ' A' ' 38' ' ' LEU . 60.7 t -108.82 109.78 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.932 HD13 ' HD3' ' A' ' 27' ' ' PRO . 1.6 tm? -79.5 128.18 33.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.773 HG12 ' O ' ' A' ' 26' ' ' VAL . 0.9 OUTLIER -118.56 90.3 39.09 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.932 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.1 Cg_endo -75.0 112.14 3.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.813 HD11 ' OH ' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 42.42 26.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' HB3' HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -95.04 -30.14 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.655 ' HA2' HD12 ' A' ' 84' ' ' ILE . . . 59.17 -116.88 9.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -103.85 167.63 9.65 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 0.74 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.407 ' HB3' ' OD1' ' A' ' 34' ' ' ASP . 0.3 OUTLIER 168.67 164.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.007 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.845 ' HG2' ' HB2' ' A' ' 181' ' ' ALA . 5.4 mm100 -49.04 -41.74 36.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.627 ' OD1' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.3 -58.18 9.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.814 ' CG ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.59 -51.83 19.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.029 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -38.36 83.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.842 ' HB2' HG21 ' A' ' 5' ' ' VAL . 69.4 t90 -62.33 -39.87 94.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.736 HD13 HG11 ' A' ' 24' ' ' VAL . 9.2 mt -67.21 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -44.3 -32.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.78 -38.2 37.32 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LEU . 9.7 mm-40 -71.35 -32.79 68.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 0.789 . . . . 0.0 110.3 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.95 66.45 0.61 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.541 1.15 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -132.12 172.17 12.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.469 ' CB ' ' HD3' ' A' ' 23' ' ' ARG . 46.3 m170 -99.83 91.96 5.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.614 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.814 HG11 ' CG ' ' A' ' 35' ' ' MET . 48.3 t -85.31 120.84 36.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.878 HG13 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -144.83 114.96 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.67 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -162.49 -173.45 31.2 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.041 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -138.07 160.85 38.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 0.783 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' HG3' ' HA ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -123.9 118.04 26.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.7 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 3.4 mm? -75.1 82.65 2.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.663 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -152.3 132.81 13.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.038 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -98.36 -49.44 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.95 -39.13 88.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.663 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -66.35 -34.0 76.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.097 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.652 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -62.66 -53.32 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.263 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -59.26 -43.33 92.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -61.62 -40.09 93.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' CE2' ' CE1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -61.67 -43.46 98.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.652 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 1.9 m-30 -73.94 -24.25 59.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -76.99 -42.07 40.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.386 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -72.48 -47.14 51.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.78 -35.07 67.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' GLU . . . 71.97 32.81 63.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.452 1.095 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 63' ' ' GLY . 1.4 mt-10 84.03 142.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.287 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.509 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 164.23 -50.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.267 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.509 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.1 Cg_endo -75.0 -177.23 3.33 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.493 1.786 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.27 113.06 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.639 HG22 ' HE3' ' A' ' 75' ' ' LYS . 8.4 mm -110.58 127.17 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.694 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -135.41 145.94 47.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.6 t -109.95 114.35 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.995 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' O ' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -110.66 98.01 7.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.317 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.76 -106.02 1.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.16 21.7 15.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 109.361 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.609 ' CE1' ' OD2' ' A' ' 88' ' ' ASP . 20.0 m-85 -130.11 172.66 11.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.639 ' HE3' HG22 ' A' ' 68' ' ' ILE . 6.1 tttp -134.61 164.63 27.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.866 HG23 ' HB2' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -142.16 118.7 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.782 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.6 OUTLIER -118.14 100.53 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -98.82 133.9 42.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.77 152.9 37.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.49 1.784 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 141.08 -53.88 0.65 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.522 1.139 . . . . 0.0 111.015 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.676 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -111.23 163.72 7.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.479 0.753 . . . . 0.0 109.343 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.661 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -101.16 48.73 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.273 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.655 HD12 ' HA2' ' A' ' 30' ' ' GLY . 0.4 OUTLIER -105.09 118.23 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.041 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.4 OUTLIER -112.43 119.81 39.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.641 ' HA ' ' HG3' ' A' ' 49' ' ' GLU . 8.1 t -83.79 148.79 26.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.54 ' O ' ' HA ' ' A' ' 50' ' ' LEU . . . 128.7 -99.77 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.1 . . . . 0.0 111.018 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.617 ' HA ' HD13 ' A' ' 50' ' ' LEU . 12.6 t70 -130.36 163.18 27.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.977 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -140.16 126.78 20.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.582 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 157.0 41.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.989 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.31 36.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.906 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -126.44 -1.34 6.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.664 ' O ' HG23 ' A' ' 97' ' ' ILE . 7.5 m 51.08 83.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 110.395 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.905 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -60.38 -12.06 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 128' ' ' MET . 36.8 ttt85 -82.96 -43.29 16.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -26.69 61.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.878 ' CD1' HG13 ' A' ' 46' ' ' VAL . 0.8 OUTLIER -91.78 -29.05 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.697 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -82.88 -70.88 1.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.742 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 3.0 p-80 54.25 -73.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 0.793 . . . . 0.0 109.623 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.784 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.9 p -141.33 137.03 32.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.288 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.025 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.19 -110.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.055 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -171.79 -175.77 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.596 ' HB2' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -158.98 147.05 17.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.71 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 16.0 t80 -117.68 120.47 38.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.508 ' HB2' ' CE2' ' A' ' 103' ' ' PHE . 1.7 t0 -106.34 137.68 43.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.472 ' HG2' ' HA ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -112.45 172.02 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 110.266 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.592 ' HB2' HD13 ' A' ' 139' ' ' LEU . . . -50.88 112.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.425 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -156.38 -59.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.7 ' HE2' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -69.92 -9.45 55.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 110.98 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.478 ' CG1' ' HB3' ' A' ' 150' ' ' PRO . 0.1 OUTLIER -83.97 -12.86 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.472 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -99.87 -9.4 22.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.937 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.3 mp -98.45 165.99 14.12 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 170.69 19.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.458 1.767 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -56.92 -64.31 0.92 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.4 m-20 -39.86 -55.82 1.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.937 ' HG2' HD23 ' A' ' 112' ' ' LEU . 11.0 tpp -59.62 -45.22 92.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.949 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -54.71 -38.93 67.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.586 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.8 mt-10 -67.18 -50.95 59.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.514 ' HD3' ' CE1' ' A' ' 123' ' ' HIS . 0.0 OUTLIER -64.21 -20.67 66.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.285 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.813 ' OH ' HD11 ' A' ' 28' ' ' LEU . 3.0 t80 -78.27 -55.8 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.949 HG13 ' O ' ' A' ' 117' ' ' ARG . 2.2 m -57.39 -41.7 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.518 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 7.8 pt20 -67.34 -46.67 72.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.514 ' CE1' ' HD3' ' A' ' 119' ' ' ARG . 14.0 m170 -58.19 -40.41 81.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.587 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.74 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -66.08 -64.48 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.518 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -53.41 -18.7 2.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.327 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -74.47 -63.23 1.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 124' ' ' LEU . 0.1 OUTLIER -84.3 14.89 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.74 ' CG ' HD13 ' A' ' 124' ' ' LEU . 0.5 OUTLIER -80.89 177.0 3.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.742 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.01 -163.23 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.22 -38.06 4.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 110.277 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -139.95 90.04 2.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -146.27 149.74 34.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 108.298 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.946 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -95.92 107.89 20.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.573 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -91.21 147.76 19.01 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.539 ' CD2' HG13 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -139.57 104.94 5.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 0.748 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.775 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -86.46 137.95 32.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.775 HD13 ' O ' ' A' ' 136' ' ' LEU . 6.0 mm -123.68 92.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.733 ' C ' HD12 ' A' ' 139' ' ' LEU . 31.1 p -97.47 168.36 10.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.399 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.733 HD12 ' C ' ' A' ' 138' ' ' THR . 0.4 OUTLIER -149.26 165.11 32.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.087 . . . . 0.0 109.37 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.54 ' OE2' ' CD2' ' A' ' 194' ' ' HIS . 5.7 pt-20 -131.11 -59.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.486 ' O ' ' CG ' ' A' ' 143' ' ' GLN . 58.7 t80 -38.0 -73.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.602 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -35.91 153.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.571 ' CB ' ' O ' ' A' ' 142' ' ' ASP . 1.1 pp0? 154.63 -16.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.599 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.14 42.62 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.951 HD21 ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 176.27 -33.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.438 1.086 . . . . 0.0 109.316 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.677 ' H ' HD13 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -86.69 151.91 23.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.503 ' H ' HD23 ' A' ' 146' ' ' LEU . 4.8 pt-20 -66.01 109.24 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 110.301 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.464 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 81.51 120.32 0.52 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.03 110.94 3.21 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.478 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.04 139.2 23.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.491 1.785 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.469 ' O ' ' O ' ' A' ' 152' ' ' SER . 1.0 OUTLIER -97.42 7.16 47.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.009 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.469 ' O ' ' O ' ' A' ' 151' ' ' PHE . 1.1 p 58.63 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.002 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.548 HG21 HH21 ' A' ' 117' ' ' ARG . 3.8 t -124.38 121.22 26.0 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.541 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 111.025 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.536 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -39.75 -47.24 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.276 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.541 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -44.79 -41.76 7.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.431 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.732 ' CH2' ' HD2' ' A' ' 117' ' ' ARG . 54.4 t90 -63.75 -48.17 78.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 107.985 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.616 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.4 OUTLIER -56.39 -35.49 67.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.638 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -82.22 -17.52 45.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.721 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.08 -39.03 24.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.321 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.721 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.4 -59.5 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.64 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.54 5.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.67 ' H ' ' C ' ' A' ' 161' ' ' VAL . 16.0 t -95.37 108.22 20.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.568 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 133.62 64.05 0.07 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.568 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 6.2 m-20 151.19 -26.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 0.755 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.64 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.81 148.14 32.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 107.973 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -96.05 86.29 4.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 198' ' ' LEU . 17.9 m -70.59 128.01 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.613 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.3 OUTLIER -124.26 135.11 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 110.396 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 129.68 40.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.937 HG11 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -159.13 166.84 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 80.68 -149.24 29.87 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.01 -126.46 1.72 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -132.43 171.78 13.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 0.744 . . . . 0.0 110.305 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 65.36 9.7 5.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.747 HG23 ' O ' ' A' ' 176' ' ' THR . 13.6 t -116.23 74.12 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.382 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.503 ' CG ' ' HA3' ' A' ' 183' ' ' GLY . 8.8 tt -90.55 -48.4 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 -28.09 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.593 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.492 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 1.8 m -60.93 -51.59 68.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.02 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 177' ' ' LEU . 95.2 p -94.84 157.05 16.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 109.985 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.845 ' HB2' ' HG2' ' A' ' 33' ' ' GLN . . . -91.09 -34.13 15.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 11.3 mtm-85 -43.97 -33.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 110.292 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.536 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -64.97 -39.28 96.36 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 181' ' ' ALA . 0.9 OUTLIER -78.21 -21.03 50.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -46.75 53.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.662 ' HB1' ' CD2' ' A' ' 145' ' ' LEU . . . -90.62 -40.06 12.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 91.93 79.22 1.4 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.951 ' HG ' HD21 ' A' ' 145' ' ' LEU . 3.6 mp -112.64 -17.16 12.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.565 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 0.0 OUTLIER 33.65 32.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.565 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 152.45 89.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.603 ' CE ' ' CD2' ' A' ' 139' ' ' LEU . 25.0 ptt? -139.46 137.72 35.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.5 113.47 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.521 ' O ' ' O ' ' A' ' 173' ' ' GLY . 13.3 tt0 -125.45 114.27 18.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.54 ' CD2' ' OE2' ' A' ' 140' ' ' GLU . 69.9 m-70 -95.37 123.16 38.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.604 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.739 HG22 HD12 ' A' ' 137' ' ' ILE . 15.7 t -103.07 152.5 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 23.5 m-85 -144.55 115.58 7.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.937 HG23 HG11 ' A' ' 171' ' ' VAL . 72.3 t -84.1 101.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.809 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.8 109.17 21.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -79.26 97.75 6.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -63.4 103.57 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.547 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.2 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -83.11 53.06 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 t -71.72 -59.3 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 33' ' ' GLN . 0.2 OUTLIER -140.5 84.65 1.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.662 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -132.02 78.64 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.507 ' O ' ' O ' ' A' ' 5' ' ' VAL . 12.1 m-80 34.28 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -43.56 -39.67 3.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.476 ' N ' ' HD2' ' A' ' 7' ' ' LYS . 4.7 m-20 -63.78 -52.85 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.565 ' C ' HD13 ' A' ' 9' ' ' LEU . 2.8 tm? -48.76 -65.84 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.3 pt20 -55.74 -29.59 59.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 14.7 tp60 -73.06 -79.85 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.596 ' CE1' HG11 ' A' ' 197' ' ' VAL . 47.6 m-85 -43.89 -41.73 5.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.841 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 3.9 t-105 -66.03 -44.89 83.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -56.84 -29.46 62.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.38 -40.16 12.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.974 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.511 HD13 ' CB ' ' A' ' 133' ' ' SER . 5.1 mt -56.14 -40.96 74.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.5 t30 41.21 41.03 1.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.498 ' O ' ' C ' ' A' ' 19' ' ' VAL . 11.9 p -49.37 155.71 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.045 HG23 ' HB2' ' A' ' 22' ' ' ALA . 4.6 m -33.12 142.08 0.19 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 110.05 3.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.526 1.803 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 105.37 -4.51 40.64 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.045 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -39.64 158.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.948 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 14.1 mmt85 -83.8 120.1 25.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.902 HG23 ' HA ' ' A' ' 45' ' ' VAL . 2.8 m -105.75 118.79 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.859 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -101.59 137.43 39.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.804 ' N ' HD13 ' A' ' 25' ' ' LEU . 35.8 m -138.92 104.83 7.4 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.711 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.98 136.63 20.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.484 1.781 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.981 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 26.56 48.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.493 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 9.2 t -98.31 -34.18 10.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.3 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.469 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 54.8 -116.24 6.43 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 132.2 46.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 0.776 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.76 154.9 11.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 4' ' ' GLU . 20.8 mm-40 -55.69 -35.86 66.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB2' ' CE2' ' A' ' 104' ' ' TYR . 0.6 OUTLIER -56.42 -58.24 8.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.615 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.7 OUTLIER -54.27 -57.39 11.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.94 -33.03 35.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.662 ' HB2' HG21 ' A' ' 5' ' ' VAL . 15.3 t90 -72.01 -38.31 69.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.93 -59.38 4.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.407 ' OG ' HG21 ' A' ' 45' ' ' VAL . 7.0 m -51.67 -43.55 62.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.43 -20.2 71.41 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.607 ' HB3' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -84.13 -37.58 21.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 110.319 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.32 54.44 0.58 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.607 ' CE1' ' HB3' ' A' ' 41' ' ' GLN . 10.2 m-85 -123.07 175.01 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 0.772 . . . . 0.0 110.994 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.626 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -89.2 75.39 7.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.577 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.991 HG12 HD11 ' A' ' 82' ' ' ILE . 85.4 t -65.85 110.12 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.03 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.4 p -141.88 114.65 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.665 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -147.93 -176.91 21.87 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.05 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.59 161.91 30.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 0.738 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.571 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.91 122.73 39.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.655 ' HG ' HD12 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -96.31 67.02 2.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.916 ' O ' HG13 ' A' ' 55' ' ' VAL . 68.7 m -153.6 98.82 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.705 ' O ' HG22 ' A' ' 55' ' ' VAL . 3.9 tt0 -60.83 -61.19 2.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.04 -36.11 27.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -61.05 -55.52 31.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -50.8 -36.7 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 14.9 mt-10 -65.23 -44.67 87.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.514 ' CD ' ' C ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -62.23 -31.91 72.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -75.46 -35.79 60.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 8.2 m-30 -71.86 -30.87 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.02 -34.8 26.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.405 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.37 -39.09 65.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -87.12 -33.95 19.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 75.54 40.31 32.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 21.7 mt-10 74.3 146.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 0.793 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 2.6 mt-30 163.33 -49.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.3 Cg_endo -75.04 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 77' ' ' TYR . 4.3 t60 -90.05 111.97 23.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 77' ' ' TYR . 5.3 mm -108.49 130.87 60.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.784 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -136.22 143.42 44.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.8 m -95.5 120.18 35.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.033 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.47 85.08 2.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.29 -111.27 3.49 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.81 18.47 18.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.761 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.1 m-85 -133.65 172.57 12.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.592 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -132.51 164.33 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.791 HG23 ' HB2' ' A' ' 85' ' ' TRP . 0.2 OUTLIER -143.09 108.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.736 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -116.49 100.57 7.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.441 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -97.99 154.15 17.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -120.77 156.01 56.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.499 1.789 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -93.12 -52.62 2.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.542 1.151 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.991 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -130.02 173.03 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 0.758 . . . . 0.0 109.313 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.753 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -97.74 43.66 1.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -99.86 108.96 23.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.05 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 1.4 p-90 -101.03 104.58 15.73 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.597 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.5 OUTLIER -68.32 149.46 49.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.676 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 132.24 -105.0 0.58 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.681 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.1 t70 -140.65 163.25 33.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.799 ' CZ ' HD21 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -114.05 133.43 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.645 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 153.88 40.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 175.36 51.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.959 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -139.1 -5.45 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.73 ' O ' HG22 ' A' ' 97' ' ' ILE . 0.0 OUTLIER 38.74 79.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.39 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.736 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -58.68 -11.52 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.547 ' N ' ' O ' ' A' ' 127' ' ' LEU . 1.8 ptt85 -80.65 -45.31 17.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.477 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.6 OUTLIER -67.59 -45.95 74.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.03 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -74.82 -40.3 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -66.79 -75.99 0.4 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 1.6 t-80 64.08 -74.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 109.569 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 1.7 t -144.8 137.83 26.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 108.279 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.023 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.77 -110.43 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.848 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -168.49 -173.8 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.683 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 4.4 p90 -168.85 138.43 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.591 ' CE2' ' HB2' ' A' ' 34' ' ' ASP . 3.2 t80 -103.05 117.17 33.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.823 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -96.98 128.1 43.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -96.97 165.25 12.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.523 ' C ' ' CD1' ' A' ' 110' ' ' ILE . . . -58.87 101.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.447 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -134.27 -53.42 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.688 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.25 -28.11 69.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.579 HG22 ' CG1' ' A' ' 153' ' ' VAL . 0.2 OUTLIER -62.17 -15.16 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.3 -62.9 1.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.83 169.79 0.49 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.536 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.0 -172.99 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.498 1.788 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -66.35 -64.97 0.74 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.7 t0 -39.25 -56.18 1.56 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.586 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 28.2 tpp -62.02 -43.24 99.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.969 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.919 ' O ' HG13 ' A' ' 121' ' ' VAL . 32.5 mtp180 -51.92 -45.65 64.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.566 ' HG2' HG21 ' A' ' 161' ' ' VAL . 9.7 mt-10 -66.0 -46.43 78.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.441 ' O ' ' ND1' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -62.49 -23.3 66.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.506 ' OH ' HD21 ' A' ' 28' ' ' LEU . 65.0 t80 -78.57 -51.4 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.919 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.1 m -61.31 -41.58 90.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.501 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 9.9 pt20 -66.85 -48.51 68.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.501 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.6 m170 -55.49 -41.76 73.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.63 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.726 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -67.57 -60.39 2.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.634 ' HB2' ' CZ2' ' A' ' 166' ' ' TRP . 0.2 OUTLIER -51.63 -20.96 2.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.05 -58.92 3.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.799 HD21 ' CZ ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -81.15 3.73 22.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.69 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.9 mmt -71.74 175.77 2.72 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.69 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -74.97 -165.48 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.483 1.78 . . . . 0.0 111.019 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 mt-30 -105.63 -48.55 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -133.33 97.06 3.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 33.4 m -151.12 160.56 43.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 108.309 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.848 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -103.16 107.5 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 110.023 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.683 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.77 149.68 20.63 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 197' ' ' VAL . 0.5 OUTLIER -144.12 109.43 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 109.245 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.967 HD23 HG23 ' A' ' 138' ' ' THR . 0.3 OUTLIER -91.85 144.75 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.701 ' CD1' HG22 ' A' ' 195' ' ' VAL . 13.9 mm -127.42 98.08 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.967 HG23 HD23 ' A' ' 136' ' ' LEU . 78.8 p -106.31 168.55 9.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.443 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.734 HD22 ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -135.29 164.17 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.511 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.6 tm-20 -118.08 -82.96 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.552 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.1 m-85 -27.64 -77.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.734 ' OD2' HD22 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -28.68 139.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.486 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 7.0 pt20 168.37 -28.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.506 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.4 44.03 2.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.89 -31.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.882 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.8 OUTLIER -87.44 143.77 27.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.6 ' H ' HD23 ' A' ' 146' ' ' LEU . 15.2 mt-10 -53.54 106.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 77.66 131.58 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.474 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.5 Cg_endo -74.98 113.96 3.91 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.448 1.762 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 130.5 13.38 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -79.94 9.92 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 153' ' ' VAL . 6.8 p 47.74 46.24 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.799 ' CG1' HG21 ' A' ' 138' ' ' THR . 8.1 p -36.83 115.3 0.67 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.53 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -75.0 142.94 28.47 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.591 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 8.7 tm0? -55.5 -44.65 76.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 154' ' ' PRO . 11.3 t -52.63 -39.75 62.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.375 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.625 ' CE2' HG11 ' A' ' 161' ' ' VAL . 70.8 t90 -62.06 -52.01 65.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.1 mt -52.47 -46.42 66.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.536 ' O ' ' CB ' ' A' ' 163' ' ' SER . 9.1 t-80 -69.93 -20.11 63.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.615 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.614 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.01 -32.88 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.625 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -114.32 -70.52 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.168 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.608 ' N ' HG22 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -39.8 -29.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 111.026 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 1.9 t -50.97 109.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -168.67 -44.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.554 1.159 . . . . 0.0 111.015 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.907 ' O ' HG22 ' A' ' 201' ' ' VAL . 21.8 m-80 -149.65 -49.16 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.634 ' CZ2' ' HB2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -80.05 96.71 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.68 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.4 mm-40 -64.89 96.4 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 0.0 110.32 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.683 HG12 ' HB3' ' A' ' 198' ' ' LEU . 1.4 m -74.52 138.51 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.846 HG22 HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -129.56 142.94 50.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.382 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.506 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -67.74 138.03 55.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.342 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.601 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -168.23 170.14 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.601 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.68 -152.82 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 176' ' ' THR . . . 178.52 172.59 43.05 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pm0 -97.84 171.23 8.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.268 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 54.9 21.41 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 176' ' ' THR . 12.6 t -116.55 74.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.588 HD12 ' C ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -75.57 -41.08 55.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -53.57 -30.36 41.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.469 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 1.0 OUTLIER -42.2 -39.41 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.05 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.9 t -122.26 165.11 16.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -91.33 -31.89 15.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 -25.49 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.986 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -64.23 -54.84 27.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.625 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.7 OUTLIER -74.27 -15.15 60.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.295 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.19 -37.53 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.684 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -95.09 -38.81 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 99.39 66.75 0.85 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.117 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 145' ' ' LEU . 2.8 mm? -87.73 -52.65 5.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 0.772 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.63 -1.46 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.337 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 160.68 116.38 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.58 ' HE1' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -167.28 153.49 7.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.503 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.0 m-20 -77.69 135.06 38.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.604 ' HB3' HG23 ' A' ' 176' ' ' THR . 7.0 tt0 -122.43 120.88 35.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -103.22 122.66 45.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.582 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.701 HG22 ' CD1' ' A' ' 137' ' ' ILE . 11.6 t -111.21 151.87 13.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 155' ' ' GLN . 19.0 m-85 -139.7 114.34 9.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.071 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.846 HG12 HG22 ' A' ' 169' ' ' THR . 7.8 p -90.72 106.74 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.683 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -103.3 144.33 31.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.3 mt-10 -112.08 97.72 6.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.623 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.3 OUTLIER -63.22 93.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.907 HG22 ' O ' ' A' ' 165' ' ' ASN . 34.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 4' ' ' GLU . 1.8 mt-30 -38.84 -74.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 m 65.47 -75.73 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.4 OUTLIER -140.59 85.11 1.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.319 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.594 HG21 ' CB ' ' A' ' 37' ' ' TRP . 1.4 p -131.58 78.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.629 HD21 HD12 ' A' ' 137' ' ' ILE . 3.9 t30 33.75 92.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.55 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.68 -35.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.6 ' OD2' HG21 ' A' ' 195' ' ' VAL . 2.4 m-20 -66.38 -52.82 42.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.881 HD23 ' CE1' ' A' ' 104' ' ' TYR . 3.3 tm? -52.64 -65.69 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.546 ' O ' ' CB ' ' A' ' 14' ' ' SER . 1.8 pp0? -53.94 -31.28 49.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.242 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.55 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 2.3 tt0 -69.42 -78.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 16' ' ' LEU . 25.1 m-85 -44.08 -54.66 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.035 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t-105 -51.82 -54.33 30.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.129 . . . . 0.0 108.046 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.546 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 7.5 t -48.64 -34.11 11.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.461 ' O ' ' C ' ' A' ' 16' ' ' LEU . 56.5 m -89.14 -61.12 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 12' ' ' TYR . 10.8 mt -35.28 -43.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.431 ' O ' ' CG ' ' A' ' 17' ' ' ASN . 37.9 t30 60.39 40.56 17.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.338 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.729 HG12 ' CB ' ' A' ' 22' ' ' ALA . 87.3 t -41.78 143.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.85 152.65 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 105.55 2.1 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.452 1.764 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 42' ' ' GLY . . . 104.67 -0.6 42.4 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.026 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -38.69 155.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 0.752 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.954 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.0 OUTLIER -91.25 128.33 37.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.994 HG11 ' CD1' ' A' ' 38' ' ' LEU . 15.9 t -104.37 111.92 35.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.78 ' C ' HD13 ' A' ' 25' ' ' LEU . 1.3 tm? -87.96 137.17 32.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.721 ' N ' HD13 ' A' ' 25' ' ' LEU . 0.9 OUTLIER -130.35 121.1 19.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.906 ' O ' HD23 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 -43.98 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.455 1.766 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.906 HD23 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -169.45 24.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.616 ' H ' HG13 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -78.25 -15.79 58.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 108.327 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' CA ' ' CD ' ' A' ' 49' ' ' GLU . . . 66.0 -114.07 6.27 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.545 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -125.12 -98.2 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.46 -162.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -70.7 -37.82 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.599 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.3 p-10 -53.32 -57.7 9.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.631 ' HG3' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -62.49 -58.23 8.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.145 . . . . 0.0 110.998 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.429 ' HA ' ' CE ' ' A' ' 35' ' ' MET . 21.7 m -44.43 -37.19 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.004 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.594 ' CB ' HG21 ' A' ' 5' ' ' VAL . 63.8 t90 -70.57 -44.52 67.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.994 ' CD1' HG11 ' A' ' 24' ' ' VAL . 71.8 mt -58.08 -62.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.496 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 64.2 p -50.13 -41.86 49.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.954 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -62.31 -30.24 75.5 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -73.46 -38.26 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.265 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' A' ' 21' ' ' GLY . . . 114.39 46.2 0.64 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 6.6 m-85 -115.8 172.7 6.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 0.773 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER -94.51 93.22 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.925 HG12 HD11 ' A' ' 82' ' ' ILE . 77.5 t -75.76 112.75 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 1.013 HG13 ' HB3' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -135.29 127.91 47.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.454 1.096 . . . . 0.0 109.298 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.758 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 173.82 176.58 42.37 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.871 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -111.56 168.28 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.554 0.797 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.545 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -125.06 93.56 3.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.334 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.744 ' HG ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -63.02 75.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.872 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -152.48 130.8 12.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -98.37 -54.66 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.84 73.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.872 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -70.19 -41.34 73.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.579 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -56.51 -52.72 49.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 55' ' ' VAL . 3.4 mm-40 -60.55 -46.27 90.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -57.88 -37.53 74.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -66.55 -42.63 86.86 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.53 1.144 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.579 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 3.4 m-30 -68.41 -27.53 66.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.54 -39.81 21.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.431 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.01 -45.99 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.463 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 4.0 mtt-85 -84.21 -35.03 23.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 77.28 40.22 24.58 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.7 mt-10 77.85 150.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 0.782 . . . . 0.0 110.334 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.539 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 160.87 -49.47 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.304 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.471 1.774 . . . . 0.0 110.98 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.19 112.08 23.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.626 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 59' ' ' PHE . 1.9 mm -98.46 138.62 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.538 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -131.65 149.85 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.6 t -113.5 96.13 5.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.517 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 56.2 mm-40 -85.02 85.09 7.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.437 1.085 . . . . 0.0 110.35 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.58 -91.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 1.7 t70 -117.09 26.39 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 0.768 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.626 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 21.1 m-85 -136.08 169.48 17.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.962 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -121.52 157.61 30.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.87 HG13 ' HB2' ' A' ' 85' ' ' TRP . 26.0 t -141.59 100.46 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.644 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.6 t80 -103.35 101.64 11.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.58 131.64 49.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.73 158.23 34.63 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.33 3.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.455 1.766 . . . . 0.0 111.06 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.95 -55.75 0.74 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.023 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.2 OUTLIER -103.32 142.05 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.323 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 1.013 ' HB3' HG13 ' A' ' 46' ' ' VAL . 0.6 OUTLIER -93.88 49.55 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.023 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -106.93 122.89 61.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.871 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.25 101.45 11.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.557 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 2.9 t -70.41 127.31 32.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.465 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 149.35 -106.96 0.34 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.526 1.142 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.626 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 0.4 OUTLIER -128.53 163.67 24.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.712 ' HB3' HD21 ' A' ' 50' ' ' LEU . 2.9 t80 -108.42 107.9 18.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.533 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 166.35 40.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.517 ' CB ' ' HG3' ' A' ' 71' ' ' GLN . . . -152.24 23.59 0.64 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.012 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -149.26 159.96 43.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.767 ' N ' HD22 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -104.97 101.58 11.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.373 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 1.042 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -56.16 -18.45 10.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.475 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -85.29 -38.77 18.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.272 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 95' ' ' ARG . 9.0 t0 -64.42 -41.67 96.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.814 HD12 ' C ' ' A' ' 97' ' ' ILE . 0.2 OUTLIER -84.45 -46.13 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.532 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -52.24 -68.82 1.38 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.754 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.4 OUTLIER 47.88 -89.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 0.741 . . . . 0.0 109.572 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.768 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 76.7 m -135.12 132.53 38.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 108.327 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.026 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.19 -106.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.035 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -172.96 -173.0 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.623 ' CD1' ' N ' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -157.34 152.22 25.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.881 ' CE1' HD23 ' A' ' 9' ' ' LEU . 2.0 t80 -123.24 122.89 39.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.595 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -112.9 153.75 27.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.75 172.09 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.745 ' HB2' ' CD2' ' A' ' 139' ' ' LEU . . . -57.87 100.84 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.58 -43.06 1.42 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.129 . . . . 0.0 109.239 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.988 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -70.59 -7.29 42.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.872 HD12 ' N ' ' A' ' 111' ' ' ALA . 1.2 pp -87.75 -11.01 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.872 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -103.25 -47.06 4.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.851 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.4 mp -75.1 164.12 63.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.94 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.039 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -85.86 -49.56 7.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 9.6 t70 -55.52 -60.97 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.851 ' HG2' HD23 ' A' ' 112' ' ' LEU . 25.4 tpp -51.15 -56.27 13.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.965 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 1.073 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.1 OUTLIER -53.45 -38.18 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.272 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.547 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 1.2 mt-10 -60.55 -43.32 97.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 3.7 mmt180 -73.06 -24.18 60.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.411 ' CD1' ' NH2' ' A' ' 117' ' ' ARG . 1.6 t80 -77.87 -44.55 26.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 1.073 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -66.96 -42.77 89.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.526 ' O ' ' HG3' ' A' ' 125' ' ' GLU . 3.2 pt20 -65.84 -47.25 75.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.457 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 47.5 m170 -63.64 -34.24 77.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.694 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.6 OUTLIER -68.73 -60.59 2.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.549 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -53.3 -26.72 19.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.447 ' N ' ' OE1' ' A' ' 125' ' ' GLU . . . -72.76 -49.25 32.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.042 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -85.31 -3.21 58.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 109.299 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.659 ' CG ' HD13 ' A' ' 124' ' ' LEU . 3.4 mmt -65.16 174.99 1.14 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.754 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.1 Cg_endo -75.02 -159.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 201' ' ' VAL . 9.9 tt0 -110.31 -39.56 4.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.671 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -141.75 93.57 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.54 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -151.63 144.05 24.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 108.281 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.981 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -93.64 107.63 19.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.041 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.648 ' O ' HD12 ' A' ' 198' ' ' LEU . . . -84.86 143.01 20.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.485 1.116 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.591 HD11 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -129.92 100.62 5.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 0.793 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.988 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -82.88 130.19 35.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.629 HD12 HD21 ' A' ' 6' ' ' ASN . 13.5 mm -115.47 107.18 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 1.036 ' O ' HD13 ' A' ' 139' ' ' LEU . 1.2 p -120.91 172.23 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.412 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 1.036 HD13 ' O ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -139.18 176.26 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.547 ' O ' ' C ' ' A' ' 141' ' ' TYR . 3.0 tt0 -131.26 -80.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.085 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.577 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.6 m-85 -24.36 -81.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.987 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.768 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -25.76 139.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.439 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 6.8 pt20 175.86 -31.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.529 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -126.06 50.58 1.86 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.357 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.981 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.19 -30.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.897 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -91.3 150.49 21.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.65 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.8 OUTLIER -64.78 102.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 89.7 125.42 2.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.481 1.78 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.497 ' HA ' ' O ' ' A' ' 110' ' ' ILE . 18.2 Cg_endo -75.01 135.46 19.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.435 1.755 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -89.93 18.05 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 111.006 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 153' ' ' VAL . 5.0 p 41.68 50.16 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.816 ' H ' HG22 ' A' ' 110' ' ' ILE . 7.6 p -39.26 114.07 0.87 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.603 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.3 Cg_endo -74.98 127.87 11.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.463 1.77 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.609 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 0.7 OUTLIER -42.97 -31.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 154' ' ' PRO . 6.0 t -57.66 -38.03 74.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.606 ' CE2' HG11 ' A' ' 161' ' ' VAL . 75.7 t90 -64.67 -59.0 4.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 108.021 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.612 ' O ' ' CB ' ' A' ' 162' ' ' MET . 1.5 mt -51.88 -28.12 15.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.702 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.6 OUTLIER -84.8 -21.31 29.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.622 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.613 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.4 OUTLIER -84.01 -34.08 24.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.689 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -113.99 -63.2 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.727 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.93 6.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.987 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.702 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 14.2 t -95.23 97.94 10.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.984 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.567 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 147.83 60.82 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.688 ' O ' HG22 ' A' ' 201' ' ' VAL . 1.1 m120 151.12 -23.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.727 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.02 145.24 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.2 mm-40 -98.97 94.09 6.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.828 HG12 ' HB3' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -81.39 131.05 34.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.824 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.77 148.57 49.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.384 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.585 ' N ' HE21 ' A' ' 155' ' ' GLN . 0.2 OUTLIER -66.01 133.47 50.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.62 HG22 ' CG1' ' A' ' 195' ' ' VAL . 0.2 OUTLIER -164.12 167.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.561 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 107.62 -139.2 14.93 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.542 1.151 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 171.35 157.85 14.13 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -105.78 168.88 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 110.261 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 52.16 21.94 1.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 176' ' ' THR . 12.3 t -109.31 74.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.382 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 190' ' ' ARG . 2.5 tm? -60.74 -47.86 84.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -72.89 62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.59 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 36.8 t -159.24 -43.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 30.2 t -91.39 135.66 33.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.137 . . . . 0.0 110.033 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -72.28 -50.06 29.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.68 -19.72 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.943 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.76 -46.73 72.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.634 ' N ' HD22 ' A' ' 184' ' ' LEU . 0.6 OUTLIER -85.82 -15.55 41.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 0.763 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -52.51 9.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.659 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -84.68 -29.63 25.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 91.82 67.47 1.14 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.981 HD13 HD21 ' A' ' 145' ' ' LEU . 3.1 mm? -85.15 -43.5 13.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.751 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 190' ' ' ARG . 3.7 mm-40 59.93 12.89 3.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.597 ' H ' HD23 ' A' ' 177' ' ' LEU . 6.2 ptm180 159.31 104.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.532 ' HA ' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -162.42 149.11 13.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.98 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 19.6 t0 -82.97 134.09 35.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.475 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 30.5 tt0 -116.06 121.55 42.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.456 ' O ' ' OG1' ' A' ' 138' ' ' THR . 31.4 m-70 -106.11 123.14 47.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.62 ' CG1' HG22 ' A' ' 171' ' ' VAL . 21.6 t -117.33 149.55 19.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.828 ' HB3' HG12 ' A' ' 168' ' ' VAL . 18.0 m-85 -140.37 117.12 10.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.824 HG12 HG22 ' A' ' 169' ' ' THR . 0.8 OUTLIER -83.76 103.53 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.881 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.97 103.92 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -76.02 99.74 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.556 ' NE ' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -66.8 103.79 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 165' ' ' ASN . 16.9 m . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' HG2' ' CD1' ' A' ' 37' ' ' TRP . 3.7 mt-30 -82.77 50.42 1.68 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -68.38 -56.65 7.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.454 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 1.2 pt-20 -140.67 84.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.964 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.8 p -131.9 78.39 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.51 ' O ' ' O ' ' A' ' 5' ' ' VAL . 8.1 m-20 37.71 95.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.578 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -49.79 -36.86 27.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.725 ' OD2' HG21 ' A' ' 195' ' ' VAL . 26.8 m-20 -71.64 -26.58 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.86 ' C ' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -71.15 -66.03 0.67 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.243 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.628 ' O ' ' CB ' ' A' ' 14' ' ' SER . 14.7 pt20 -60.1 -29.55 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.578 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.9 tp60 -66.13 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.339 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.713 ' CD1' HG21 ' A' ' 197' ' ' VAL . 13.7 m-85 -44.66 -54.15 6.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.999 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.5 t-105 -48.52 -55.4 11.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 107.946 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.628 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 9.0 t -46.55 -45.43 18.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' LEU . 4.6 t -76.05 -49.39 17.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 110.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 ' HB3' HG23 ' A' ' 18' ' ' VAL . 1.1 mt -39.46 -56.27 1.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.452 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 18.2 t-20 67.46 37.22 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG23 ' HB3' ' A' ' 16' ' ' LEU . 95.8 t -51.13 143.25 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.341 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.044 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 4.7 p -35.46 143.67 0.25 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 90.44 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.78 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 128.27 -3.26 6.74 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.044 ' HB2' ' CG1' ' A' ' 19' ' ' VAL . . . -46.88 157.98 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 0.798 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.902 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 0.3 OUTLIER -81.91 114.6 20.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG13 ' HH2' ' A' ' 13' ' ' TRP . 20.3 t -104.46 101.77 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.978 ' HB2' HD11 ' A' ' 97' ' ' ILE . 0.4 OUTLIER -94.09 153.96 17.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.746 HG23 ' HA3' ' A' ' 47' ' ' GLY . 19.4 m -156.22 108.4 2.07 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.933 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -75.03 133.99 17.21 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.56 1.821 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.933 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.07 49.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.519 ' N ' ' O ' ' A' ' 27' ' ' PRO . 12.1 t -84.01 -35.25 24.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 34.85 68.22 0.24 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -117.26 177.77 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 0.754 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.58 -44.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.408 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 40.3 mm-40 -73.62 -54.12 8.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 0.0 110.343 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -58.06 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -57.85 -62.09 2.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.408 ' H ' ' CG ' ' A' ' 35' ' ' MET . 51.2 m -44.4 -30.67 0.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.964 ' HB2' HG21 ' A' ' 5' ' ' VAL . 9.0 t90 -73.41 -45.72 52.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.012 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -59.06 -66.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 t -48.88 -48.56 42.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -48.39 -22.88 2.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 mm-40 -95.65 -35.65 11.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 112.49 68.9 0.54 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -135.75 170.57 15.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 0.749 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.86 87.01 4.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.66 HG12 HD11 ' A' ' 82' ' ' ILE . 59.4 t -77.35 96.89 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.739 HG13 ' HB3' ' A' ' 83' ' ' GLU . 0.1 OUTLIER -115.47 94.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.746 ' HA3' HG23 ' A' ' 26' ' ' VAL . . . -130.95 173.22 20.35 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.071 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.32 169.25 17.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.553 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.77 129.96 47.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.917 HD23 HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -96.3 69.78 2.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.657 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -152.46 135.13 15.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.026 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -98.11 -46.52 5.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.65 97.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.657 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -61.49 -34.78 76.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.831 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.5 t -64.26 -52.79 51.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.83 -42.68 89.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -61.75 -38.27 87.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 110.263 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -65.41 -40.7 93.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.831 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 3.1 m-30 -69.06 -33.1 73.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.76 -43.33 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -65.98 -48.33 71.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' NE ' ' OH ' ' A' ' 77' ' ' TYR . 7.8 mtt85 -72.55 -35.42 68.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 110.337 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.24 36.19 40.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.029 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 76.64 148.29 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 110.283 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.527 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.3 OUTLIER 160.9 -49.7 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.98 -176.74 3.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.528 1.804 . . . . 0.0 111.058 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -99.18 113.64 25.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.638 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.534 HG21 ' CE2' ' A' ' 59' ' ' PHE . 4.6 mm -102.08 131.17 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.682 HG22 ' HB ' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -127.24 155.86 42.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.399 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.6 t -115.28 103.36 10.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.493 ' HA ' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -91.21 84.86 5.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.77 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 71' ' ' GLN . 28.5 t0 -123.97 29.82 6.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 0.758 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' ' CG ' ' A' ' 88' ' ' ASP . 17.7 m-85 -137.98 172.59 12.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 110.99 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -126.04 152.62 45.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.574 1.171 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.881 HG13 ' HB2' ' A' ' 85' ' ' TRP . 41.0 t -135.47 102.76 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.671 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 3.0 t80 -104.94 101.06 10.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.06 138.19 40.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -111.48 157.59 38.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 111.07 3.24 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.01 -57.74 0.72 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.8 HD13 ' N ' ' A' ' 83' ' ' GLU . 0.0 OUTLIER -108.6 156.46 9.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.8 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -100.48 57.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 110.334 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.632 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -107.68 115.8 49.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.336 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.071 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.74 103.45 12.96 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.47 ' HB3' HG22 ' A' ' 55' ' ' VAL . 3.4 t -74.66 139.79 43.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 108.289 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.553 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 135.78 -96.36 0.26 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.636 ' CG ' ' CD1' ' A' ' 74' ' ' PHE . 1.8 t70 -130.15 163.64 26.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 0.773 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.745 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.6 OUTLIER -119.62 99.79 6.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 111.034 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.2 OUTLIER 172.62 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . 178.24 40.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.071 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -140.04 -3.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.602 ' N ' HD13 ' A' ' 92' ' ' LEU . 1.3 m 43.88 83.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.446 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 1.08 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -58.17 -12.57 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -78.72 -50.34 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 110.296 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -61.6 -52.69 63.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.978 HD11 ' HB2' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -67.96 -45.61 83.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.577 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -50.38 -77.71 0.12 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 111.027 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.663 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 55.67 -87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.747 . . . . 0.0 109.631 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.782 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 38.6 t -144.61 141.41 29.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 108.315 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.999 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.58 -107.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.999 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.21 165.12 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.744 ' O ' ' CG ' ' A' ' 103' ' ' PHE . 0.2 OUTLIER -149.12 109.32 4.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 111.051 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 1.084 ' CE2' HD12 ' A' ' 135' ' ' LEU . 2.9 m-85 -100.29 163.06 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.677 ' HB2' HD12 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -156.51 164.03 38.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 109.34 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.431 ' CZ ' ' O ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -119.32 172.25 7.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.794 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -41.25 109.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.587 ' N ' ' CD1' ' A' ' 110' ' ' ILE . . . -142.86 -59.94 0.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.24 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.444 ' HB2' ' HG2' ' A' ' 117' ' ' ARG . 8.1 ptp -65.11 -25.08 67.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 111.013 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.945 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.2 OUTLIER -60.83 -19.85 20.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.24 -63.99 1.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -56.08 164.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.606 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.06 -179.75 5.31 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.447 1.761 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -60.23 -65.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 114' ' ' ALA . 2.2 t0 -39.25 -54.37 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.606 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 39.7 tpp -60.86 -48.29 82.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 1.015 ' O ' HG13 ' A' ' 121' ' ' VAL . 37.8 mtp180 -49.02 -48.71 43.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.636 ' O ' HG22 ' A' ' 121' ' ' VAL . 12.0 mt-10 -63.94 -40.17 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.448 ' HA ' ' CD ' ' A' ' 122' ' ' GLN . 12.8 mmt85 -64.92 -28.8 69.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 110.265 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -78.28 -40.16 37.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 1.015 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -67.33 -41.63 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.529 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 20.4 pt20 -67.06 -49.46 65.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 64.8 m170 -58.18 -43.86 87.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.612 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.703 ' CD2' HD11 ' A' ' 127' ' ' LEU . 0.3 OUTLIER -63.51 -54.59 33.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.647 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -56.65 -23.67 43.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.451 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . -72.89 -53.34 11.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.118 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.08 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.76 -3.6 58.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.266 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.677 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.6 mmt -64.01 175.35 0.85 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.667 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.4 Cg_endo -74.98 -158.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.9 OUTLIER -114.71 -39.46 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.707 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -142.39 93.16 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.519 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -152.71 148.56 27.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 108.302 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.689 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.4 p -95.46 112.73 24.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.709 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -92.25 151.55 20.76 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 1.084 HD12 ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -143.36 104.71 4.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.677 HD12 ' HB2' ' A' ' 105' ' ' ASP . 2.6 tp -87.43 141.42 28.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 1.077 HD11 HD13 ' A' ' 135' ' ' LEU . 9.1 mm -120.7 106.11 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 110' ' ' ILE . 64.0 p -118.16 174.97 5.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.794 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -142.71 172.56 12.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.541 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.1 tt0 -126.12 -78.9 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.569 ' O ' ' C ' ' A' ' 142' ' ' ASP . 2.5 m-85 -25.39 -83.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -26.74 143.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 8.5 pt20 169.97 -25.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.515 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -123.38 46.19 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.947 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 179.3 -31.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.886 ' HG ' HD21 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -89.34 155.21 19.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.721 ' H ' HD23 ' A' ' 146' ' ' LEU . 7.3 mm-40 -53.3 106.47 0.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.97 150.82 0.05 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.127 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.481 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.01 112.72 3.63 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.512 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.95 106.41 2.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.473 1.775 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.518 ' O ' ' C ' ' A' ' 152' ' ' SER . 8.1 t80 -75.88 83.1 2.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.518 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.5 OUTLIER -28.64 104.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.982 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.945 ' CG2' HG22 ' A' ' 110' ' ' ILE . 2.1 t -78.33 123.56 85.79 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.603 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.04 121.03 6.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.506 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.566 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 5.2 mp0 -43.94 -31.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.603 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -63.73 -38.48 91.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.381 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.615 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 62.1 t90 -61.58 -56.09 23.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 107.992 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.748 HD23 ' CE ' ' A' ' 162' ' ' MET . 0.5 OUTLIER -48.28 -47.2 36.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.515 ' O ' ' CB ' ' A' ' 163' ' ' SER . 6.9 t-160 -69.09 -21.58 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.565 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.51 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -80.79 -24.98 38.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.631 ' CG2' HG21 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -113.4 -60.55 2.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.748 ' CE ' HD23 ' A' ' 158' ' ' LEU . 6.9 mtt -70.59 5.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.2 OUTLIER -38.95 -76.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.618 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . -87.83 109.66 3.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.825 ' O ' HG22 ' A' ' 201' ' ' VAL . 12.9 m-20 146.79 -46.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.749 ' CD1' ' N ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -146.61 130.89 17.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.5 mt-10 -73.95 84.11 1.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.701 HG12 ' HB3' ' A' ' 198' ' ' LEU . 1.5 m -71.33 131.96 33.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.648 HG22 ' HB ' ' A' ' 197' ' ' VAL . 0.5 OUTLIER -131.92 148.7 52.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.431 ' HG3' ' NE2' ' A' ' 155' ' ' GLN . 0.6 OUTLIER -76.23 137.22 39.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.604 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -163.12 170.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 108.84 -157.29 15.25 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.546 ' O ' HG22 ' A' ' 176' ' ' THR . . . -170.75 161.16 33.97 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.474 ' CB ' ' CG ' ' A' ' 192' ' ' ASP . 0.4 OUTLIER -101.89 160.98 14.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 0.74 . . . . 0.0 110.326 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.68 14.26 5.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 176' ' ' THR . 14.0 t -110.49 74.64 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.389 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.654 HD21 ' HA3' ' A' ' 183' ' ' GLY . 1.5 tm? -84.5 -34.03 23.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -74.84 47.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 177' ' ' LEU . 3.1 t -139.93 -42.74 0.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.9 t -86.01 163.5 17.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.052 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.405 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -91.89 -58.62 2.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -39.62 -30.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.818 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.81 -63.03 4.09 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 110.968 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.08 -15.33 13.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -80.69 -61.56 1.93 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.578 ' HB3' ' HG ' ' A' ' 146' ' ' LEU . . . -64.85 -34.82 79.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 95.46 66.39 0.98 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.947 ' CD1' HD11 ' A' ' 145' ' ' LEU . 2.5 mm? -86.81 -52.99 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 0.773 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 75.59 -6.99 1.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.476 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 23.0 ptt180 175.2 122.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.56 1.162 . . . . 0.0 110.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.72 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -175.87 155.31 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 111.009 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.474 ' CG ' ' CB ' ' A' ' 174' ' ' GLN . 24.1 t0 -80.28 125.86 30.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 173' ' ' GLY . 56.7 tt0 -109.16 121.6 45.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.435 ' O ' ' OG1' ' A' ' 138' ' ' THR . 53.8 m-70 -110.43 122.72 48.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.725 HG21 ' OD2' ' A' ' 8' ' ' ASP . 10.8 t -117.04 158.63 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.656 ' CD1' ' O ' ' A' ' 195' ' ' VAL . 8.9 m-85 -146.84 133.21 19.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.713 HG21 ' CD1' ' A' ' 12' ' ' TYR . 11.0 t -104.09 109.53 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.925 HD23 ' N ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.89 113.97 27.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.477 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.8 tt0 -78.8 96.66 5.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.272 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.65 HH11 ' N ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -61.86 104.61 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.825 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.0 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.417 ' H1 ' ' N ' ' A' ' 37' ' ' TRP . 22.0 t60 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -178.09 -48.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.56 -65.45 0.47 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.036 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.549 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 2.2 pt-20 -140.47 85.1 1.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.698 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.3 p -131.53 78.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.473 ' CB ' ' HB3' ' A' ' 9' ' ' LEU . 1.8 m120 39.46 86.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.7 OUTLIER -39.4 -45.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -62.16 -48.97 77.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.345 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.716 HD23 HD23 ' A' ' 135' ' ' LEU . 2.6 tm? -49.78 -65.72 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.7 pt20 -55.47 -33.81 63.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.298 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -67.34 -81.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.541 ' CE2' HG21 ' A' ' 171' ' ' VAL . 69.4 m-85 -44.22 -54.25 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.874 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.5 t-105 -48.68 -61.79 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 20.0 m -45.33 -46.83 13.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.64 -26.48 63.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -64.81 -46.42 82.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 64.2 t30 63.74 49.39 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 22' ' ' ALA . 47.5 t -59.39 145.66 10.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.028 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.03 149.68 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 0.0 109.272 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 102.81 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.492 1.785 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 108.18 -1.89 33.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.028 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.57 154.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 0.738 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.912 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 33.4 mmt-85 -82.53 122.0 27.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 38' ' ' LEU . 24.3 t -107.55 112.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.845 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.2 tm? -93.14 134.34 35.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.722 HG22 ' HA3' ' A' ' 47' ' ' GLY . 1.9 m -130.71 98.19 20.12 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.729 ' HD3' HD13 ' A' ' 25' ' ' LEU . 18.3 Cg_endo -75.03 110.85 3.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.783 HD22 HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 38.07 30.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.572 ' SG ' ' CG2' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.73 -35.38 79.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 108.278 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . 33.9 61.36 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.2 tptt -108.11 -157.75 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 109.246 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.417 ' HB3' ' NE2' ' A' ' 33' ' ' GLN . 0.5 OUTLIER -157.36 -45.51 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.962 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.417 ' NE2' ' HB3' ' A' ' 32' ' ' SER . 36.7 mm-40 -72.63 -39.2 67.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.117 . . . . 0.0 110.277 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.77 -58.18 9.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.448 ' SD ' ' N ' ' A' ' 36' ' ' SER . 4.2 ppp? -60.76 -40.46 92.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.448 ' N ' ' SD ' ' A' ' 35' ' ' MET . 47.8 t -63.51 -35.78 81.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.698 ' HB2' HG21 ' A' ' 5' ' ' VAL . 70.4 t90 -67.94 -51.88 42.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.824 HD13 HG11 ' A' ' 24' ' ' VAL . 7.3 mt -57.69 -67.01 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.44 -42.61 4.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.59 -36.04 91.94 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 111.01 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LEU . 32.2 tp60 -79.39 -20.5 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.761 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.95 79.67 1.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -145.07 165.77 27.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 0.765 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.604 ' CG ' ' NH1' ' A' ' 23' ' ' ARG . 5.9 m-70 -91.07 81.2 5.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.559 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.022 HG12 HD11 ' A' ' 82' ' ' ILE . 93.3 t -75.68 109.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.901 HG13 HD13 ' A' ' 97' ' ' ILE . 1.4 p -136.33 110.32 9.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.728 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -149.71 -172.03 18.81 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.985 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -137.91 168.68 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.593 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -127.16 125.39 41.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.783 HD23 HD22 ' A' ' 28' ' ' LEU . 1.8 mm? -88.99 65.26 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.849 ' O ' HG13 ' A' ' 55' ' ' VAL . 35.8 t -153.3 107.97 3.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.0 OUTLIER -71.41 -60.42 2.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.298 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -50.19 -32.49 16.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.685 ' HB2' ' OG ' ' A' ' 51' ' ' SER . . . -63.58 -49.7 72.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.849 HG13 ' O ' ' A' ' 51' ' ' SER . 0.8 OUTLIER -58.04 -37.4 61.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -64.79 -48.73 73.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.421 ' HD2' ' CG ' ' A' ' 61' ' ' GLU . 4.6 tpt180 -62.73 -28.9 70.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 110.246 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.409 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 1.8 m-30 -74.85 -36.99 62.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.156 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.65 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 5.2 m-30 -73.04 -31.65 64.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -79.38 -37.64 36.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.405 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' ARG . 3.8 mm-40 -71.13 -41.6 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -81.22 -36.24 30.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.14 38.63 14.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 13.5 mt-10 69.88 152.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 110.302 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.56 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.1 OUTLIER 159.26 -47.29 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.56 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.97 -170.42 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.551 1.816 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -100.43 113.58 26.45 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.586 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.489 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 22.7 mm -103.75 118.6 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.258 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.588 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -119.56 148.6 43.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 110.422 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 57.8 p -98.58 141.51 31.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.7 OUTLIER -137.65 85.38 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.87 -99.94 0.09 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -112.08 35.12 3.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.586 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 30.2 m-85 -149.89 173.17 14.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.573 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.2 OUTLIER -133.67 163.77 28.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 69' ' ' THR . 1.6 m -142.61 112.48 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.694 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.23 104.58 13.75 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.98 130.4 44.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.243 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -101.19 156.1 35.55 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 105.94 2.18 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.455 1.766 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 133.44 -55.44 0.75 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.472 1.108 . . . . 0.0 111.008 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.022 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -106.95 154.52 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 0.771 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.662 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.07 50.83 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.285 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.79 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.77 114.84 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.985 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -103.11 105.39 15.68 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.508 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.85 140.86 53.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 108.267 -179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.611 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 131.15 -97.58 0.37 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.586 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 12.2 t70 -129.64 163.97 24.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.757 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.945 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -128.14 97.64 4.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.655 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER 178.04 52.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -176.33 42.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.974 HD23 HG21 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -137.94 -34.31 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.959 ' N ' HD13 ' A' ' 92' ' ' LEU . 2.5 m 78.4 79.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.416 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.845 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -56.73 -12.64 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.567 ' N ' ' O ' ' A' ' 127' ' ' LEU . 10.4 ttt180 -76.42 -50.63 13.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.34 -48.6 72.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.974 HG21 HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -66.46 -43.28 91.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.17 . . . . 0.0 109.296 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.497 ' C ' ' HB3' ' A' ' 129' ' ' PRO . . . -56.47 -76.05 0.22 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.515 1.134 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.724 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 2.1 m170 56.93 -84.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 109.603 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.787 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.4 p -139.77 137.06 34.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 108.298 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.984 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.16 -109.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.934 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -171.53 -177.8 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.666 ' CE2' ' HA3' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -160.98 133.1 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.646 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 70.7 t80 -97.84 116.16 29.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 111.002 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.551 ' HB3' HD23 ' A' ' 136' ' ' LEU . 2.4 t0 -94.74 146.77 23.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.576 ' C ' ' HD2' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -106.16 172.67 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.602 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -78.07 87.68 4.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.447 ' HB2' ' CD ' ' A' ' 106' ' ' ARG . . . -121.09 -38.88 2.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.18 -27.45 68.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.602 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -73.21 -12.27 15.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -98.07 -23.14 15.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.881 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.8 mp -95.33 166.02 15.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' ' 116' ' ' MET . 18.4 Cg_endo -74.99 -173.04 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.459 1.768 . . . . 0.0 110.999 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -68.78 -67.66 0.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -39.61 -63.2 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.881 ' HG2' HD23 ' A' ' 112' ' ' LEU . 13.8 tpp -52.16 -45.54 65.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.902 ' O ' HG13 ' A' ' 121' ' ' VAL . 5.6 mtm180 -55.35 -39.28 69.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.54 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.1 mt-10 -65.43 -48.92 71.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -67.97 -19.3 64.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.285 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.542 ' OH ' HD11 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -77.86 -56.76 4.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 111.032 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.902 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.3 m -60.02 -39.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.529 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 7.3 pt20 -66.72 -48.13 70.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 5.0 m170 -54.0 -40.79 67.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.603 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.626 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -65.71 -62.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.68 ' CG ' ' CE2' ' A' ' 166' ' ' TRP . 6.1 mm-40 -52.79 -18.14 1.72 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -77.56 -54.99 5.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.764 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -90.61 14.31 13.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.636 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 3.3 mmt -79.84 174.71 5.69 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.724 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.06 -159.94 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.48 1.779 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.422 ' O ' ' C ' ' A' ' 201' ' ' VAL . 7.6 pt20 -111.37 -37.67 5.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.338 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -143.96 94.46 2.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.559 ' HB2' ' N ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -149.09 149.81 31.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.302 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.934 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -92.95 109.75 21.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.011 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.666 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -89.27 149.27 20.6 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.135 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.821 HD13 HG23 ' A' ' 197' ' ' VAL . 6.6 tp -140.2 99.07 3.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.4 OUTLIER -83.82 127.16 33.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.752 HD13 HG22 ' A' ' 195' ' ' VAL . 41.4 mm -112.81 106.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.536 ' HB ' HG21 ' A' ' 110' ' ' ILE . 28.1 p -118.08 178.22 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.429 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.57 172.21 14.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 141' ' ' TYR . 37.2 tt0 -132.25 -82.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.572 ' C ' ' O ' ' A' ' 140' ' ' GLU . 70.8 t80 -22.32 -73.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.991 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.526 ' OD2' HD23 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -31.15 146.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 141' ' ' TYR . 11.5 pt20 174.6 -32.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -121.83 52.16 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.878 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -22.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.721 ' HB2' HD21 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -96.27 127.15 42.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.669 ' N ' HD12 ' A' ' 146' ' ' LEU . 55.7 mm-40 -46.38 101.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 90.1 129.39 3.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 113.32 3.77 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.776 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.489 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.03 130.39 13.19 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.427 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -82.38 8.01 12.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 10.3 p 48.76 55.3 9.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.829 HG23 HH11 ' A' ' 117' ' ' ARG . 9.8 p -40.63 121.05 1.74 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.514 ' HB2' ' CG2' ' A' ' 156' ' ' THR . 18.2 Cg_endo -75.0 121.42 6.57 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -40.26 -44.28 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.514 ' CG2' ' HB2' ' A' ' 154' ' ' PRO . 0.1 OUTLIER -49.96 -43.22 50.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.369 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.657 ' CE2' HG11 ' A' ' 161' ' ' VAL . 44.6 t90 -63.15 -51.04 68.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 108.006 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.653 ' O ' ' CB ' ' A' ' 162' ' ' MET . 0.3 OUTLIER -54.25 -33.1 57.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.677 ' O ' ' CB ' ' A' ' 163' ' ' SER . 4.9 t60 -84.62 -17.44 38.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.623 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.67 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.5 OUTLIER -82.31 -36.77 26.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.67 HG12 ' HG2' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.1 -60.65 2.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.653 ' CB ' ' O ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -56.89 6.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.677 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 42.1 t -100.65 107.63 19.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.564 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 141.96 59.21 0.03 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.035 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.564 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 8.6 m-20 151.65 -24.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.68 ' CE2' ' CG ' ' A' ' 125' ' ' GLU . 0.0 OUTLIER -145.91 128.85 16.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 107.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.0 OUTLIER -78.47 94.11 4.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.283 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.684 HG12 ' HB3' ' A' ' 198' ' ' LEU . 33.7 m -79.34 131.33 34.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.877 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -131.7 137.28 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.43 179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.634 ' C ' HG12 ' A' ' 171' ' ' VAL . 22.9 pttt -61.24 141.62 57.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 169' ' ' THR . 0.2 OUTLIER -173.46 168.77 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 112.92 -165.75 12.07 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 110.99 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.545 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -149.05 176.59 27.75 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.525 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 26.4 pt20 -114.95 139.54 49.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 0.773 . . . . 0.0 110.254 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . 0.423 ' HA ' ' N ' ' A' ' 191' ' ' MET . 0.8 OUTLIER 64.8 11.85 7.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.242 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 176' ' ' THR . 7.7 t -116.86 73.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 110.362 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.95 HD21 ' H ' ' A' ' 190' ' ' ARG . 0.2 OUTLIER -92.24 -11.42 35.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.573 ' N ' HD12 ' A' ' 177' ' ' LEU . 70.4 m-70 -46.29 -27.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.618 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -71.13 -40.87 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -86.97 157.15 19.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.407 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -92.5 -42.24 9.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -42.18 -28.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.768 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -66.93 -50.48 46.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.546 HD22 ' H ' ' A' ' 184' ' ' LEU . 1.1 mm? -73.9 -14.57 61.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 0.76 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -41.02 28.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.99 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -87.49 -40.01 14.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.29 66.28 0.91 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.15 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.99 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.2 OUTLIER -113.57 -31.52 6.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 6.9 pm0 38.9 39.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.95 ' H ' HD21 ' A' ' 177' ' ' LEU . 0.7 OUTLIER 153.38 112.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.239 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.886 ' HG2' HD23 ' A' ' 177' ' ' LEU . 1.8 ptt? -175.48 145.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.525 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 6.9 m-20 -54.28 108.58 0.39 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.545 ' O ' ' O ' ' A' ' 173' ' ' GLY . 27.2 tt0 -102.65 105.08 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 138' ' ' THR . 9.6 m-70 -91.95 149.32 21.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.583 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.752 HG22 HD13 ' A' ' 137' ' ' ILE . 46.4 t -147.46 146.16 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.531 ' HA ' ' O ' ' A' ' 169' ' ' THR . 8.0 m-85 -141.64 117.25 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.113 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.877 HG12 HG22 ' A' ' 169' ' ' THR . 2.4 p -83.76 112.25 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.842 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -106.98 104.0 13.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.1 OUTLIER -75.84 95.65 3.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.34 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 129' ' ' PRO . 0.0 OUTLIER -61.9 99.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 165' ' ' ASN . 25.7 m . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 4' ' ' GLU . 2.6 mp0 -41.28 -65.59 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.84 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -140.55 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.608 HG11 ' HD1' ' A' ' 37' ' ' TRP . 2.4 p -131.74 143.39 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.496 ' ND2' ' OD2' ' A' ' 8' ' ' ASP . 1.2 t30 -32.54 116.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -57.83 -39.83 78.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.625 ' OD1' HG22 ' A' ' 171' ' ' VAL . 2.9 m-20 -64.31 -46.52 83.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.685 ' C ' HD13 ' A' ' 9' ' ' LEU . 2.2 tm? -53.08 -66.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' CB ' ' A' ' 14' ' ' SER . 6.2 pt20 -56.43 -28.95 60.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' SER . 3.9 tp-100 -67.76 -81.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.894 ' HE2' HG21 ' A' ' 171' ' ' VAL . 55.4 m-85 -43.97 -54.55 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.075 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 2.3 t-105 -49.45 -55.34 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 108.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.511 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.9 m -48.41 -36.15 14.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.016 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 6.9 t -88.04 -53.84 4.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.727 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.4 mp -39.2 -42.17 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 47.18 36.17 4.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 19' ' ' VAL . 12.2 p -47.28 153.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.051 HG23 ' HB2' ' A' ' 22' ' ' ALA . 5.3 m -34.45 144.84 0.18 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.63 2.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.547 1.814 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 106.64 -3.49 36.61 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.051 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.63 156.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 0.767 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.903 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 31.4 mmt-85 -81.87 123.85 29.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.039 HG11 HD13 ' A' ' 38' ' ' LEU . 47.6 t -106.38 114.83 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 1.027 HD23 HD11 ' A' ' 97' ' ' ILE . 1.0 OUTLIER -103.95 139.95 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.818 ' N ' HD13 ' A' ' 25' ' ' LEU . 7.4 m -142.46 106.23 5.52 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.909 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.93 124.24 8.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.909 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 26.3 54.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.539 ' O ' ' N ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -110.93 -35.33 5.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 108.292 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 46.2 -87.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 29' ' ' CYS . 0.1 OUTLIER 58.54 -151.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.263 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.43 ' HA ' ' SD ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -163.74 -40.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 109.99 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.403 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 12.4 mm-40 -73.72 -47.57 38.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t70 -52.24 -58.59 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.464 ' HG3' ' H ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -61.0 -62.48 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.464 ' H ' ' HG3' ' A' ' 35' ' ' MET . 30.4 t -43.68 -32.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.608 ' HD1' HG11 ' A' ' 5' ' ' VAL . 30.7 t90 -69.25 -53.5 19.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 107.97 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.039 HD13 HG11 ' A' ' 24' ' ' VAL . 4.8 mt -61.04 -66.78 0.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.01 -44.76 4.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.973 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.14 -31.67 65.9 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.018 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 38' ' ' LEU . 3.8 mm-40 -80.82 -30.81 35.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 110.334 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.64 59.4 0.63 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.446 ' HE2' HG13 ' A' ' 18' ' ' VAL . 9.0 m-85 -126.21 171.23 11.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.755 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -82.65 80.59 8.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.584 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 t -71.91 103.72 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.894 ' CG2' HD12 ' A' ' 97' ' ' ILE . 1.2 p -135.39 143.93 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.763 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -179.79 -176.8 47.55 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.036 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -130.83 168.79 16.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 0.722 . . . . 0.0 109.288 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -129.62 129.58 44.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.887 HD23 HD12 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -97.34 68.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.801 ' OG ' ' HB3' ' A' ' 54' ' ' ALA . 55.0 p -152.29 133.42 14.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.034 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -98.15 -47.59 5.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.62 -41.41 97.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.801 ' HB3' ' OG ' ' A' ' 51' ' ' SER . . . -63.22 -35.95 82.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.894 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 4.7 t -61.65 -54.41 35.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -57.89 -42.55 84.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.245 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -30.28 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -72.16 -40.86 67.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.025 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.894 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.6 m-30 -69.33 -34.97 75.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.78 -42.43 40.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.51 -46.11 87.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' CZ ' ' OH ' ' A' ' 77' ' ' TYR . 6.8 mtt-85 -75.85 -38.97 57.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.64 34.84 18.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.524 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 27.1 mt-10 77.48 149.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 0.743 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.558 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 158.21 -48.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.558 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -75.0 -172.32 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.508 1.794 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -107.56 112.03 24.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.536 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.52 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 7.4 mm -94.69 131.66 40.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.458 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -126.61 142.89 51.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.7 m -116.16 92.97 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.575 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 0.9 OUTLIER -96.64 98.74 10.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.9 -107.4 1.86 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -111.95 6.43 19.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.665 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 14.2 m-30 -112.76 151.41 30.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.678 ' HD2' HG11 ' A' ' 55' ' ' VAL . 1.5 ttmp? -107.89 158.31 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.865 HG13 ' HB2' ' A' ' 85' ' ' TRP . 31.4 t -139.82 101.74 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.676 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 2.6 t80 -103.84 101.43 11.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -102.69 139.01 38.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.37 157.48 42.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 110.81 3.19 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.82 . . . . 0.0 111.025 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 131.4 -57.89 0.71 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.477 1.111 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.654 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -107.32 157.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.55 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -102.04 55.35 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.424 1.077 . . . . 0.0 110.292 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.654 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -108.05 121.43 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.036 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -109.21 105.76 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.508 ' HB3' HG22 ' A' ' 55' ' ' VAL . 1.8 t -76.85 138.88 40.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 108.263 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.581 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 139.06 -97.45 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.665 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.2 OUTLIER -134.66 163.67 29.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 0.798 . . . . 0.0 109.288 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.635 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 2.2 t80 -118.4 106.73 13.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 89' ' ' PHE . 0.3 OUTLIER 161.86 48.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.575 ' HB2' ' NE2' ' A' ' 71' ' ' GLN . . . -141.96 -41.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.045 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -82.64 -175.62 5.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.7 m -123.85 89.14 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 1.032 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -52.44 -16.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.572 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -77.16 -48.73 16.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -65.75 -45.48 82.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.027 HD11 HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -69.24 -48.39 68.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -58.29 -75.89 0.24 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.661 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 58.6 -79.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 0.775 . . . . 0.0 109.64 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.758 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 37.3 t -143.83 137.07 27.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 108.296 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.034 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.28 -112.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.075 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -167.23 -178.27 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.722 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.1 p90 -162.62 142.84 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.557 ' HE1' HD13 ' A' ' 135' ' ' LEU . 10.6 t80 -105.34 114.78 29.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 1.015 ' HB3' HD12 ' A' ' 136' ' ' LEU . 6.8 m-20 -93.14 130.33 38.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.551 ' HE ' ' HB3' ' A' ' 107' ' ' ALA . 0.5 OUTLIER -100.6 155.52 17.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.656 ' HB1' HD12 ' A' ' 110' ' ' ILE . . . -54.87 87.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' ARG . . . -121.24 -55.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.933 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -65.42 -16.5 63.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 111.045 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.656 HD12 ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -71.03 -21.89 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.576 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -78.33 -49.02 14.38 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.572 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.1 OUTLIER -66.69 169.5 7.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.572 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.3 Cg_endo -74.99 -163.1 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -75.57 -63.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.0 OUTLIER -39.72 -59.6 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.686 ' O ' ' HG3' ' A' ' 119' ' ' ARG . 16.0 tpp -55.05 -46.94 75.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.997 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -55.04 -37.28 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.572 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 0.4 OUTLIER -65.71 -58.48 5.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.13 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.686 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -60.32 -17.57 43.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.553 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.2 OUTLIER -79.15 -46.8 17.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.997 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.4 m -64.14 -41.56 92.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.535 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 13.3 pt20 -67.43 -50.23 60.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.535 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 24.6 m170 -58.15 -42.83 86.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -63.35 -61.24 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.644 ' HG2' ' CD2' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -54.89 -20.52 9.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -72.57 -56.49 5.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.032 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -82.84 -3.23 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.674 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 4.1 mmt -65.91 175.24 1.27 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.674 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.1 Cg_endo -74.99 -160.13 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.0 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 201' ' ' VAL . 29.0 tp60 -110.85 -44.52 3.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.63 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -137.62 94.19 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 32.3 m -150.99 149.88 30.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.346 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.82 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -97.75 111.12 23.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.978 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.722 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -92.07 157.13 24.01 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.557 HD13 ' HE1' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -140.0 102.67 4.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.015 HD12 ' HB3' ' A' ' 105' ' ' ASP . 4.3 tp -82.63 135.42 35.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.862 HD13 ' HB ' ' A' ' 195' ' ' VAL . 2.5 mm -125.05 110.76 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.475 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 29.1 p -119.45 168.91 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.412 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.983 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -132.47 157.28 45.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 141' ' ' TYR . 0.0 OUTLIER -122.15 -34.32 3.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.361 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 1.3 m-85 -69.84 -83.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.921 ' OD2' HD22 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -31.03 144.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.531 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.4 pt20 170.73 -28.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.88 53.32 1.79 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.968 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 174.56 -29.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.994 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.8 OUTLIER -97.17 131.34 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.994 ' N ' HD12 ' A' ' 146' ' ' LEU . 8.3 pt-20 -48.57 113.24 0.72 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 84.19 109.49 0.59 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.531 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -74.96 113.1 3.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.499 1.789 . . . . 0.0 111.044 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.462 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 159.15 41.67 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.802 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 152' ' ' SER . 26.6 m-85 -117.97 22.0 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.499 ' OG ' ' O ' ' A' ' 152' ' ' SER . 0.6 OUTLIER 36.14 93.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.762 HG11 HH11 ' A' ' 117' ' ' ARG . 3.4 t -74.3 122.35 87.34 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.547 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.95 119.56 5.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.484 1.781 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 196' ' ' TYR . 6.2 tm0? -42.61 -36.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.547 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.1 t -56.33 -38.76 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 110.35 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.755 ' CH2' ' CG ' ' A' ' 117' ' ' ARG . 44.8 t90 -60.16 -52.65 64.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 108.028 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 162' ' ' MET . 1.4 mt -53.68 -37.13 62.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.532 ' O ' ' CB ' ' A' ' 163' ' ' SER . 3.9 t60 -76.66 -20.41 56.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.563 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.651 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -82.27 -35.99 27.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.095 . . . . 0.0 110.345 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.747 HG11 ' CZ2' ' A' ' 157' ' ' TRP . 0.2 OUTLIER -113.32 -72.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.7 ' SD ' ' CE2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -39.29 -28.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 0.4 OUTLIER -48.89 115.61 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.967 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.612 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 110.3 75.71 0.83 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.524 1.14 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 15.2 m-20 145.71 -35.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CE2' ' SD ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.84 137.59 25.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -92.54 94.26 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.602 HG12 HD23 ' A' ' 198' ' ' LEU . 29.5 m -76.77 132.53 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.466 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -124.24 124.13 41.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.435 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.04 124.39 14.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.992 HG22 ' H ' ' A' ' 172' ' ' GLY . 13.6 p -164.06 -172.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.992 ' H ' HG22 ' A' ' 171' ' ' VAL . . . 116.86 -156.1 15.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -157.41 138.65 5.96 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 176' ' ' THR . 33.5 mt-30 -102.35 158.6 16.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 0.752 . . . . 0.0 110.276 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.5 t0 49.26 21.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.264 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 176' ' ' THR . 6.3 t -111.48 74.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.792 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.7 OUTLIER -73.67 -36.53 65.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -70.38 55.2 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.588 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 177' ' ' LEU . 69.1 m -156.3 -43.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.44 ' O ' HD22 ' A' ' 184' ' ' LEU . 9.1 t -84.72 109.3 17.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.134 . . . . 0.0 109.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -48.78 -59.84 3.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 106' ' ' ARG . 5.9 mmp_? -39.39 -29.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.809 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -66.56 -63.79 3.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.647 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.2 OUTLIER -60.56 -14.6 20.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 109.256 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.71 -45.15 17.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.646 ' HB2' HD13 ' A' ' 146' ' ' LEU . . . -82.92 -36.07 25.57 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 97.82 65.2 0.88 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.968 HD13 HD21 ' A' ' 145' ' ' LEU . 2.9 mm? -84.19 -52.61 6.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 0.791 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.44 ' O ' ' CD ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 76.66 -1.55 2.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 167.12 116.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.983 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.4 OUTLIER -164.86 150.75 10.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -91.28 126.93 36.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 138' ' ' THR . 20.5 tt0 -118.17 120.41 37.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -103.35 122.7 45.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.567 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.967 ' CG2' HG13 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -119.36 165.66 14.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.866 ' HA ' HG12 ' A' ' 171' ' ' VAL . 5.0 m-85 -152.35 132.3 13.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.605 HG21 ' CG ' ' A' ' 12' ' ' TYR . 2.7 t -85.25 107.87 16.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.818 HD12 ' H ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -101.18 105.08 16.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.57 94.97 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.278 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.51 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -63.71 100.09 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.332 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.7 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.414 ' CG ' ' H ' ' A' ' 2' ' ' GLN . 5.5 p80 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 3' ' ' SER . 2.9 mt-30 -133.5 -166.09 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.34 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER 86.46 -57.23 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.046 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -140.0 84.73 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.833 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.2 p -131.73 78.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.453 ' ND2' ' OG ' ' A' ' 179' ' ' SER . 0.6 OUTLIER 37.52 89.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -41.07 -39.48 1.24 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 7' ' ' LYS . 54.7 m-20 -65.48 -56.06 14.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.821 HD23 HD23 ' A' ' 135' ' ' LEU . 2.3 tm? -45.39 -65.5 0.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -54.44 -34.37 61.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -68.07 -79.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' LEU . 72.9 m-85 -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.972 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.803 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.8 t-105 -49.66 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 15.1 t -42.69 -36.25 1.37 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 18.3 t -81.51 -49.61 10.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.968 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.07 -44.4 1.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 25.3 t-20 67.81 44.18 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 19' ' ' VAL . 45.9 t -52.79 134.39 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.039 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -38.91 147.45 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 102.14 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.478 1.778 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.14 -5.79 27.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.039 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -39.46 155.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.766 . . . . 0.0 109.255 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.897 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 9.0 mmt85 -81.1 124.14 28.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.11 HG11 HD13 ' A' ' 38' ' ' LEU . 30.6 t -106.04 120.42 56.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.817 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.8 tm? -107.64 138.23 44.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.708 ' N ' HD13 ' A' ' 25' ' ' LEU . 1.9 m -139.86 102.91 6.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.899 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.06 124.96 8.97 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.5 1.789 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.93 55.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.628 ' CB ' HG23 ' A' ' 26' ' ' VAL . 38.7 t -81.87 -35.38 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 108.329 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.466 ' HA2' ' CD ' ' A' ' 49' ' ' GLU . . . 76.18 24.32 69.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? 70.18 145.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.754 . . . . 0.0 109.311 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t -165.44 168.3 16.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -53.05 -32.69 48.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.241 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.58 ' CG ' ' CD1' ' A' ' 104' ' ' TYR . 0.5 OUTLIER -60.3 -58.12 9.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.847 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -52.65 -46.9 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -32.56 74.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.988 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.833 ' HB2' HG21 ' A' ' 5' ' ' VAL . 46.3 t90 -65.53 -38.36 89.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 108.007 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.11 HD13 HG11 ' A' ' 24' ' ' VAL . 6.2 mt -65.32 -62.34 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 46.3 m -46.71 -38.59 10.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.967 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -70.69 -29.76 69.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -80.49 -36.35 33.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.261 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 111.87 68.83 0.55 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -133.67 173.54 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 111.0 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.471 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.2 OUTLIER -92.36 75.57 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.603 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.079 HG12 HD11 ' A' ' 82' ' ' ILE . 85.0 t -68.4 112.53 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.892 HG21 HD13 ' A' ' 97' ' ' ILE . 1.9 p -142.84 112.89 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.74 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -151.76 -172.01 20.12 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.072 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -142.65 162.11 36.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.539 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.3 OUTLIER -122.26 137.66 54.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.717 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 0.8 OUTLIER -94.81 66.57 3.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.674 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 38.8 t -152.16 139.77 19.74 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.404 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.6 OUTLIER -97.93 -64.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.238 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.83 -26.02 13.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' CB ' ' OG ' ' A' ' 51' ' ' SER . . . -68.57 -45.86 70.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.8 HG23 ' CE2' ' A' ' 59' ' ' PHE . 0.7 OUTLIER -61.14 -48.02 90.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.274 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 4.3 mt-10 -61.09 -47.28 87.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.442 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -61.06 -29.17 69.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.288 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.47 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.9 m-30 -72.07 -44.67 62.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.8 ' CE2' HG23 ' A' ' 55' ' ' VAL . 1.1 m-30 -65.04 -34.78 79.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -82.74 -29.96 29.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.2 mm-40 -72.99 -40.57 65.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -89.25 -32.87 17.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.78 40.34 96.53 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -118.03 -42.99 2.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 65.49 79.7 0.24 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.715 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -155.23 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.483 1.781 . . . . 0.0 110.985 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -65.46 84.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.595 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.613 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.9 mm -87.95 127.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.6 OUTLIER -124.87 151.63 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.359 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.2 m -108.32 107.48 18.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.55 85.36 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 58.17 -109.21 1.78 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -100.98 28.31 5.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 46.3 m-85 -142.62 173.44 11.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.492 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.5 OUTLIER -124.73 169.01 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.968 HG13 ' HB2' ' A' ' 85' ' ' TRP . 97.3 t -142.74 97.09 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.72 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 2.0 t80 -95.84 100.75 12.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.523 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -110.04 120.8 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.133 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -90.02 155.16 47.46 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -2.72 12.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.799 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -92.85 -53.56 1.91 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.079 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -120.41 172.76 7.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.694 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -103.36 48.04 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.582 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -107.01 124.16 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.072 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -110.49 105.49 14.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.427 ' HB3' ' HB3' ' A' ' 77' ' ' TYR . 1.8 t -74.46 133.91 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 108.309 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.539 ' O ' ' O ' ' A' ' 49' ' ' GLU . . . 137.85 -101.18 0.32 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.58 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 13.8 p-10 -118.7 163.99 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 0.745 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.717 ' HB3' ' CD2' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -127.04 94.67 4.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.028 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 174.57 57.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -179.24 43.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.984 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -139.17 -34.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.984 ' N ' HD13 ' A' ' 92' ' ' LEU . 1.5 m 73.85 75.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.821 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -55.12 -12.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.648 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -75.41 -50.53 15.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -66.59 -56.48 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.892 HD13 HG21 ' A' ' 46' ' ' VAL . 0.5 OUTLIER -62.5 -36.67 76.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.489 ' O ' ' HB2' ' A' ' 23' ' ' ARG . . . -59.84 -78.75 0.13 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.622 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.7 t-160 62.72 -85.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.769 . . . . 0.0 109.603 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.782 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 31.9 p -143.89 143.76 31.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.985 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.02 -110.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.841 ' HB1' ' O ' ' A' ' 133' ' ' SER . . . -169.47 179.53 3.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.682 ' CZ ' ' HA3' ' A' ' 134' ' ' GLY . 1.7 p90 -160.38 139.5 10.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.58 ' CD1' ' CG ' ' A' ' 34' ' ' ASP . 9.9 t80 -97.9 118.37 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.795 ' CB ' HD12 ' A' ' 136' ' ' LEU . 0.2 OUTLIER -97.65 127.05 43.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.02 171.94 8.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.627 ' HB2' ' CD1' ' A' ' 139' ' ' LEU . . . -72.99 87.19 1.33 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.431 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -119.72 -36.87 3.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 1.01 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -64.27 -35.34 80.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.592 ' CD1' ' HB1' ' A' ' 107' ' ' ALA . 0.1 OUTLIER -69.96 -3.89 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -100.09 -40.05 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.88 HD23 ' HG2' ' A' ' 116' ' ' MET . 3.5 mp -86.47 164.26 38.53 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.535 ' O ' ' HB2' ' A' ' 117' ' ' ARG . 18.3 Cg_endo -74.96 -158.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.505 1.792 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -80.17 -66.01 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 114' ' ' ALA . 3.9 t70 -39.8 -62.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.88 ' HG2' HD23 ' A' ' 112' ' ' LEU . 6.7 tpp -51.48 -37.33 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.856 ' CZ ' ' HA ' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -58.0 -61.34 2.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.316 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.532 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.4 mt-10 -49.72 -39.52 37.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 123' ' ' HIS . 3.9 mmt180 -71.91 -26.42 62.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.833 ' OH ' HD21 ' A' ' 28' ' ' LEU . 45.4 t80 -77.78 -57.83 3.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.975 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -56.45 -43.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.536 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 8.4 pt20 -65.1 -48.76 72.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 119' ' ' ARG . 31.6 m170 -57.55 -38.45 74.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 109.574 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.84 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -67.74 -64.97 0.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.536 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -50.68 -20.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.71 -54.37 6.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.821 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -87.24 5.6 37.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.84 ' CG ' HD13 ' A' ' 124' ' ' LEU . 3.9 mmt -73.09 174.38 4.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.638 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.497 1.788 . . . . 0.0 111.056 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 201' ' ' VAL . 4.1 tt0 -105.04 -45.86 4.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.69 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.65 97.97 3.46 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.612 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 60.2 m -147.34 156.25 42.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.841 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -101.47 107.69 19.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.996 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.682 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -88.51 149.96 21.5 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.923 HD13 HG22 ' A' ' 197' ' ' VAL . 12.4 tp -139.74 102.88 4.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.025 ' O ' HD13 ' A' ' 137' ' ' ILE . 0.3 OUTLIER -83.78 142.52 30.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 1.025 HD13 ' O ' ' A' ' 136' ' ' LEU . 5.1 mm -130.64 95.16 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.802 HG23 HD23 ' A' ' 136' ' ' LEU . 19.1 p -104.08 170.7 7.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.406 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.775 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -139.67 177.72 7.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -134.35 -81.76 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.579 ' O ' ' C ' ' A' ' 142' ' ' ASP . 1.9 m-85 -23.28 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.625 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -26.22 139.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 0.9 OUTLIER 175.0 -32.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -118.58 47.03 1.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.963 HD11 ' CD1' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 177.98 -31.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.707 ' N ' HD22 ' A' ' 145' ' ' LEU . 3.9 tp -89.64 130.08 35.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -40.8 110.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 72.65 131.61 0.15 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.437 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -75.0 119.39 5.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.98 138.97 23.77 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -94.34 18.91 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 153' ' ' VAL . 3.6 p 38.07 52.84 1.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.958 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.676 ' CG1' HG21 ' A' ' 138' ' ' THR . 9.1 p -37.55 116.42 0.8 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.873 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.6 Cg_endo -74.91 112.85 3.66 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.47 ' O ' ' N ' ' A' ' 158' ' ' LEU . 0.0 OUTLIER -33.33 -44.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.873 HG22 ' HB2' ' A' ' 154' ' ' PRO . 5.0 t -44.48 -39.73 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.422 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.769 ' CE2' HG11 ' A' ' 161' ' ' VAL . 66.9 t90 -65.81 -42.18 90.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 108.018 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.798 HD21 HD22 ' A' ' 136' ' ' LEU . 7.0 mp -57.04 -41.58 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.539 ' O ' ' CB ' ' A' ' 163' ' ' SER . 2.5 t-80 -79.47 -18.5 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.682 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -78.67 -37.96 40.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.32 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.769 HG11 ' CE2' ' A' ' 157' ' ' TRP . 0.1 OUTLIER -114.76 -70.68 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.65 ' HG2' ' CZ2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -37.92 -29.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 111.008 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 5.8 t -53.78 98.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -155.13 -58.41 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.936 ' O ' HG22 ' A' ' 201' ' ' VAL . 26.1 m-80 -134.07 -48.55 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.763 ' HZ3' HD12 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -77.45 97.98 5.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 108.019 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.6 OUTLIER -63.06 95.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.245 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.579 HG12 ' HB3' ' A' ' 198' ' ' LEU . 3.2 m -70.26 126.66 30.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -123.34 154.09 39.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.445 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 171' ' ' VAL . 0.6 OUTLIER -72.26 136.57 46.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.827 HG21 HG23 ' A' ' 197' ' ' VAL . 38.5 t -155.48 159.95 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.255 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.403 ' N ' ' CG1' ' A' ' 171' ' ' VAL . . . 51.09 -150.27 6.65 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.453 1.096 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 174' ' ' GLN . . . 140.09 -77.92 0.31 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 176' ' ' THR . 0.0 OUTLIER -36.24 147.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 0.774 . . . . 0.0 110.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . 0.558 ' HA ' ' O ' ' A' ' 191' ' ' MET . 5.2 p-10 -67.12 71.72 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.635 ' HG1' ' CD2' ' A' ' 178' ' ' HIS . 3.1 t -89.33 73.62 7.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.372 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.581 HD12 ' C ' ' A' ' 177' ' ' LEU . 0.2 OUTLIER -55.46 -39.8 70.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.635 ' CD2' ' HG1' ' A' ' 176' ' ' THR . 3.6 p-80 -53.83 -21.87 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.606 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.453 ' OG ' ' ND2' ' A' ' 6' ' ' ASN . 8.5 t -69.74 -68.49 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 85.6 p -81.95 136.65 35.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.999 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.408 ' C ' ' N ' ' A' ' 183' ' ' GLY . . . -71.65 -29.11 64.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.32 -22.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 1.061 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -64.9 -61.55 5.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.676 HD22 ' H ' ' A' ' 184' ' ' LEU . 1.3 mm? -68.76 -18.46 64.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 0.737 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -63.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.619 ' HB3' HD13 ' A' ' 146' ' ' LEU . . . -81.5 -29.46 33.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.04 74.34 1.26 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 1.061 HD23 ' HA2' ' A' ' 183' ' ' GLY . 3.6 mm? -88.96 -52.88 4.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 0.753 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.529 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 80.27 -4.8 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 2.4 mtt180 159.56 106.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.244 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.708 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -148.37 141.2 24.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.003 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' ' 175' ' ' ASP . 0.9 OUTLIER -58.59 132.72 54.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.455 ' HB2' ' CE ' ' A' ' 191' ' ' MET . 49.1 tt0 -129.71 116.01 18.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -107.23 123.13 47.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.618 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.7 HG22 HG23 ' A' ' 137' ' ' ILE . 32.2 t -113.15 161.67 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.681 ' O ' HD12 ' A' ' 135' ' ' LEU . 19.8 m-85 -151.68 146.7 25.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.923 HG22 HD13 ' A' ' 135' ' ' LEU . 14.0 t -106.34 105.07 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.922 HD23 ' N ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -100.05 99.61 10.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -76.11 95.04 3.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.288 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.612 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -63.55 87.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 165' ' ' ASN . 29.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 4' ' ' GLU . 8.6 mp0 -40.49 -72.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.1 m 65.04 -76.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.496 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -140.54 86.89 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.712 HG21 ' CB ' ' A' ' 37' ' ' TRP . 0.9 OUTLIER -131.94 78.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.544 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 36.58 96.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' CE ' ' HA3' ' A' ' 173' ' ' GLY . 0.0 OUTLIER -46.84 -35.29 6.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.567 ' CG ' HG21 ' A' ' 195' ' ' VAL . 0.4 OUTLIER -65.41 -48.43 72.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.253 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.56 ' C ' HD13 ' A' ' 9' ' ' LEU . 3.1 tm? -55.4 -65.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.531 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.0 OUTLIER -55.6 -28.28 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.265 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.6 tt0 -67.49 -80.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.592 1.183 . . . . 0.0 110.324 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.876 ' CE2' HG21 ' A' ' 171' ' ' VAL . 51.3 m-85 -44.07 -54.89 5.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.832 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 0.7 OUTLIER -49.7 -52.64 29.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 107.982 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.6 m -50.68 -36.74 37.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.953 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -88.34 -62.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.7 ' N ' ' O ' ' A' ' 12' ' ' TYR . 1.7 mt -34.89 -52.08 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 45.8 t-20 65.15 39.51 5.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.527 HG12 ' CB ' ' A' ' 22' ' ' ALA . 80.3 t -41.43 142.03 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.107 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -39.97 149.47 0.28 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 104.85 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.483 1.78 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 110.96 -10.02 29.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.107 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -38.03 156.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.92 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 12.1 tpp180 -80.94 117.76 21.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 1.085 HG11 HD13 ' A' ' 38' ' ' LEU . 21.5 t -104.99 102.01 13.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.809 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 1.9 tm? -87.03 135.18 33.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.779 HG12 ' HB3' ' A' ' 104' ' ' TYR . 32.3 m -140.35 103.3 6.61 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.725 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.0 139.36 24.18 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.725 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 17.36 56.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 27' ' ' PRO . 0.5 OUTLIER -82.76 -35.1 26.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.286 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 80.94 24.94 57.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 30' ' ' GLY . 19.4 ttmt 49.1 97.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' A' ' 181' ' ' ALA . 0.5 OUTLIER -117.24 -176.43 3.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.944 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -52.16 -29.86 24.15 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.546 ' CG ' ' CD2' ' A' ' 104' ' ' TYR . 0.0 OUTLIER -63.86 -58.32 7.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.637 ' CE ' HG21 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -53.34 -39.7 64.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -71.31 -31.02 66.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.712 ' CB ' HG21 ' A' ' 5' ' ' VAL . 17.1 t90 -72.79 -35.07 67.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 108.012 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.085 HD13 HG11 ' A' ' 24' ' ' VAL . 12.0 mt -72.04 -57.08 4.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.5 t -53.26 -39.88 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -65.1 -35.58 91.94 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 1.3 mm-40 -70.06 -35.02 73.95 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 0.767 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.83 54.24 0.6 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.419 1.074 . . . . 0.0 110.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -117.72 173.97 6.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.75 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.466 ' ND1' ' O ' ' A' ' 21' ' ' GLY . 16.5 m170 -93.88 78.72 4.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.605 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.953 HG12 HD11 ' A' ' 82' ' ' ILE . 95.2 t -73.43 119.0 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.945 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.5 p -142.93 102.0 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.717 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -137.16 -172.67 12.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.994 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -134.24 168.76 18.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.543 ' CB ' ' HA ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -128.41 129.64 46.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.326 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.576 ' HB2' ' CB ' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -97.89 71.74 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 m -152.14 134.32 15.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.411 ' O ' ' OE2' ' A' ' 56' ' ' GLU . 1.8 mp0 -97.07 -43.22 7.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.95 -46.61 74.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.45 -34.94 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.66 HG23 ' SG ' ' A' ' 86' ' ' CYS . 1.2 t -65.27 -49.8 76.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' O ' ' HB ' ' A' ' 60' ' ' THR . 2.4 mt-10 -60.21 -44.6 95.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -58.24 -41.56 84.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -62.61 -43.34 99.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.694 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 3.7 m-30 -74.93 -18.97 60.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.452 ' HB ' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -81.96 -37.92 25.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -76.29 -41.98 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.2 mtt85 -82.41 -32.4 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.404 ' C ' ' HG3' ' A' ' 64' ' ' GLU . . . 66.92 45.09 86.66 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 24.1 mt-10 77.55 144.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.617 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.2 OUTLIER 156.38 -44.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.2 Cg_endo -74.98 171.84 17.54 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.486 1.782 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.54 95.75 2.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.58 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.694 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 24.3 mm -97.75 119.28 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.523 HG22 HG13 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -126.25 143.33 51.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.379 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 m -84.96 141.76 30.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.51 ' HG3' ' HB2' ' A' ' 91' ' ' ALA . 1.3 mm-40 -143.51 85.55 1.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.99 -112.01 2.0 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.433 ' C ' ' CG ' ' A' ' 74' ' ' PHE . 8.2 t0 -100.51 37.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 0.723 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.561 ' CG ' ' HB2' ' A' ' 88' ' ' ASP . 67.8 m-85 -159.0 173.4 16.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.653 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 1.2 ttmt -128.5 169.79 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 76' ' ' VAL . 1.1 m -142.99 110.38 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.713 ' O ' ' CD2' ' A' ' 77' ' ' TYR . 0.1 OUTLIER -104.75 101.37 10.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.35 160.95 14.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -128.09 157.81 72.91 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.13 9.39 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.12 -49.05 6.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.953 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -122.22 158.41 26.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.642 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -100.23 53.56 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.67 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -106.69 111.03 33.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.994 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -98.9 100.58 11.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.976 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.66 ' SG ' HG23 ' A' ' 55' ' ' VAL . 9.1 t -71.56 141.88 50.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.334 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.653 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 133.4 -99.25 0.36 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.554 1.159 . . . . 0.0 111.003 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.561 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 2.8 t70 -128.2 163.62 24.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.713 ' HA ' ' CZ3' ' A' ' 85' ' ' TRP . 9.7 t80 -121.6 108.63 13.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.653 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 160.31 47.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' HG3' ' A' ' 71' ' ' GLN . . . -138.1 -44.99 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.033 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.41 -178.71 5.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.34 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.844 ' O ' HG22 ' A' ' 97' ' ' ILE . 3.9 m -126.38 80.17 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.439 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.809 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -44.35 -21.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.551 ' N ' ' O ' ' A' ' 127' ' ' LEU . 2.1 ttt180 -76.78 -55.39 5.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -61.73 -52.18 65.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.945 ' CD1' HG21 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -64.86 -50.73 73.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.299 179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -52.18 -78.65 0.1 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 21.1 t-160 71.17 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.774 . . . . 0.0 109.568 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.766 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 56.8 m -145.01 143.16 30.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 108.288 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.986 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 147.6 -108.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.832 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -165.65 176.84 7.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.629 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -152.73 120.6 6.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.779 ' HB3' HG12 ' A' ' 26' ' ' VAL . 72.2 t80 -100.49 132.92 45.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.572 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 4.7 t0 -126.1 155.97 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.6 172.11 9.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.513 ' HB1' HG12 ' A' ' 110' ' ' ILE . . . -50.92 101.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -134.44 -66.54 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.652 ' HE1' HD11 ' A' ' 136' ' ' LEU . 0.4 OUTLIER -55.58 -24.94 35.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 111.031 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.662 HD13 ' HB3' ' A' ' 150' ' ' PRO . 2.8 pp -59.76 -28.79 41.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.596 ' N ' HD12 ' A' ' 110' ' ' ILE . . . -73.7 -55.94 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.617 HD13 ' HG3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -63.62 166.34 9.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.601 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -75.01 178.11 7.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.517 1.799 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -57.67 -65.55 0.62 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.9 m-20 -38.88 -53.19 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.617 ' HG3' HD13 ' A' ' 112' ' ' LEU . 37.2 tpp -61.93 -42.62 99.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 111.056 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.916 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -55.72 -42.79 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.247 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.667 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.8 mt-10 -65.76 -45.0 84.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 1.0 OUTLIER -65.76 -26.11 67.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.46 ' CE1' ' HE3' ' A' ' 109' ' ' MET . 12.8 t80 -74.73 -53.42 9.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.916 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.8 m -60.07 -47.71 90.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.513 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 2.5 pt20 -59.61 -47.41 85.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.483 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 20.2 m170 -57.14 -37.61 72.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.634 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.737 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.2 OUTLIER -67.79 -64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.513 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -52.67 -18.22 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.32 -59.86 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.613 ' C ' ' CD1' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -88.81 19.22 4.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.737 ' CG ' HD13 ' A' ' 124' ' ' LEU . 1.5 mmt -84.09 177.04 3.2 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.727 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.2 Cg_endo -75.04 -162.83 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.457 1.767 . . . . 0.0 111.005 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 201' ' ' VAL . 1.0 OUTLIER -108.92 -47.48 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.766 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -131.88 98.23 4.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.536 ' SG ' ' HG2' ' A' ' 129' ' ' PRO . 0.5 OUTLIER -155.73 154.25 31.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 108.273 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.777 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.9 p -102.87 110.93 23.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.629 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -90.95 152.84 21.98 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.501 1.126 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 196' ' ' TYR . 15.4 tp -141.53 98.62 3.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.786 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.811 HD22 HG23 ' A' ' 138' ' ' THR . 0.4 OUTLIER -80.88 133.32 35.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.794 HD13 ' HB ' ' A' ' 195' ' ' VAL . 6.2 mm -121.24 93.29 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.811 HG23 HD22 ' A' ' 136' ' ' LEU . 3.1 p -104.19 158.65 16.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.909 HD12 HD23 ' A' ' 146' ' ' LEU . 0.3 OUTLIER -89.55 176.7 6.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 141' ' ' TYR . 1.4 mm-40 -137.08 -111.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.538 ' C ' ' O ' ' A' ' 140' ' ' GLU . 13.0 t80 -25.25 -62.32 0.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.582 ' HB3' ' CD2' ' A' ' 188' ' ' LEU . 0.0 OUTLIER -29.26 144.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.499 ' HA ' ' CD ' ' A' ' 150' ' ' PRO . 7.2 pt20 -179.57 -33.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.467 ' C ' HD12 ' A' ' 145' ' ' LEU . . . -122.77 61.48 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.896 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 171.65 -25.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.909 HD23 HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -83.01 128.25 34.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.565 ' N ' HD12 ' A' ' 146' ' ' LEU . 18.4 mt-10 -43.87 102.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.478 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.29 148.17 22.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.451 1.094 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 110.63 3.15 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.793 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.662 ' HB3' HD13 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.93 160.29 40.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.499 ' CE2' ' HA ' ' A' ' 113' ' ' PRO . 6.8 m-85 -115.04 14.16 17.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 151' ' ' PHE . 99.9 p 35.36 48.78 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.615 HG11 HG21 ' A' ' 138' ' ' THR . 6.6 p -37.03 111.49 0.52 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.509 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.1 Cg_endo -75.01 133.37 16.5 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.773 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -46.02 -47.42 16.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.428 1.08 . . . . 0.0 110.254 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' ' 154' ' ' PRO . 0.3 OUTLIER -48.05 -43.66 30.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.655 ' CE2' HG11 ' A' ' 161' ' ' VAL . 45.8 t90 -62.29 -46.41 88.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 108.002 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 196' ' ' TYR . 0.3 OUTLIER -56.63 -40.19 74.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.618 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.4 OUTLIER -77.78 -17.36 57.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.749 ' HG3' ' N ' ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.84 -38.02 26.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.749 ' N ' ' HG3' ' A' ' 160' ' ' ARG . 0.1 OUTLIER -114.13 -58.09 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.32 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.702 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -57.74 6.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.68 ' H ' ' C ' ' A' ' 161' ' ' VAL . 32.3 t -103.7 101.24 11.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.583 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 155.36 54.17 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.583 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 4.8 m-20 149.75 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.702 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.76 130.16 17.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 108.007 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.508 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 0.3 OUTLIER -86.46 92.7 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 110.329 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 1.048 HG13 HD22 ' A' ' 198' ' ' LEU . 51.0 t -79.21 135.87 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.937 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -126.95 134.34 50.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.397 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.92 127.28 28.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 1.005 HG12 ' HA ' ' A' ' 196' ' ' TYR . 11.9 p -164.09 -173.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.958 ' H ' HG22 ' A' ' 171' ' ' VAL . . . 111.9 -150.04 18.12 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.453 1.096 . . . . 0.0 110.984 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.504 ' HA3' ' CE ' ' A' ' 7' ' ' LYS . . . -163.1 138.75 5.5 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.439 ' C ' ' N ' ' A' ' 176' ' ' THR . 0.8 OUTLIER -97.65 162.78 13.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 46.56 24.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 176' ' ' THR . 14.5 t -104.35 74.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 177' ' ' LEU . 2.2 tm? -61.59 -43.17 99.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -78.53 64.91 3.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.599 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.93 -42.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.447 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.0 t -90.59 108.57 19.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' A' ' 32' ' ' SER . . . -45.5 -54.22 7.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -46.2 -26.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.8 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -58.99 -48.08 87.6 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.484 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.4 OUTLIER -81.95 -20.31 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 0.803 . . . . 0.0 109.331 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.59 -22.75 53.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.883 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -107.84 -40.24 5.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 89.79 70.74 1.24 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.883 HD11 ' HB3' ' A' ' 186' ' ' ALA . 1.1 mp -105.2 -16.54 14.75 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 0.794 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.514 ' CA ' ' HG ' ' A' ' 177' ' ' LEU . 13.5 pm0 36.36 31.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.543 ' N ' ' HG ' ' A' ' 177' ' ' LEU . 0.3 OUTLIER 157.26 105.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.263 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.693 ' SD ' HD13 ' A' ' 188' ' ' LEU . 2.5 ptt? -167.29 154.0 8.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.557 ' OD1' ' N ' ' A' ' 193' ' ' GLU . 23.3 t0 -93.65 139.76 30.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.557 ' N ' ' OD1' ' A' ' 192' ' ' ASP . 36.8 tt0 -125.21 118.3 25.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -102.03 123.19 45.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.579 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.964 ' CG2' HG13 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -122.48 165.91 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 1.005 ' HA ' HG12 ' A' ' 171' ' ' VAL . 0.7 OUTLIER -148.54 144.21 27.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.937 HG12 HG22 ' A' ' 169' ' ' THR . 2.8 p -101.69 107.25 21.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 1.048 HD22 HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -95.91 133.53 39.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.521 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.5 OUTLIER -96.68 91.61 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.521 ' CB ' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -61.01 95.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 165' ' ' ASN . 17.4 m . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 22.2 m80 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -117.94 -78.1 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.57 -81.33 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.95 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.523 ' HB2' ' CD2' ' A' ' 178' ' ' HIS . 0.0 OUTLIER -140.57 84.51 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.585 HG13 ' OE1' ' A' ' 10' ' ' GLN . 1.5 p -131.72 139.13 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.653 ' OD1' HG21 ' A' ' 137' ' ' ILE . 0.5 OUTLIER -33.24 99.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.11 -30.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.633 ' OD2' HG21 ' A' ' 195' ' ' VAL . 2.3 m-20 -69.03 -61.95 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.3 tm? -45.28 -58.87 2.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.585 ' OE1' HG13 ' A' ' 5' ' ' VAL . 10.3 pt20 -57.83 -39.7 78.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 49.5 tt0 -69.76 -76.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 171' ' ' VAL . 55.2 m-85 -43.82 -54.42 5.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.994 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 6.6 t-105 -53.63 -50.99 64.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.4 t -53.25 -28.95 30.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.102 . . . . 0.0 109.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.4 t -86.23 -44.05 12.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.053 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.582 HD13 ' CB ' ' A' ' 133' ' ' SER . 2.2 mt -54.37 -33.6 59.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 16' ' ' LEU . 51.1 t30 39.4 39.46 0.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' ' 19' ' ' VAL . 10.6 p -47.5 155.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.038 HG23 ' HB2' ' A' ' 22' ' ' ALA . 10.8 m -31.63 144.23 0.1 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.99 4.18 56.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.038 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -44.94 159.18 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.912 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 12.2 mmt85 -81.18 116.98 21.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.964 HG11 ' HG ' ' A' ' 38' ' ' LEU . 91.3 t -103.28 111.4 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.811 HD12 HD11 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -84.24 152.71 24.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.296 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.995 HG13 ' HB2' ' A' ' 29' ' ' CYS . 2.1 t -139.16 89.79 12.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.644 ' HD2' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.04 112.7 3.62 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.57 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 41.73 27.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.995 ' HB2' HG13 ' A' ' 26' ' ' VAL . 90.6 m -100.63 -15.99 17.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.882 ' O ' HG11 ' A' ' 26' ' ' VAL . . . 57.61 -114.23 5.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HA ' ' CB ' ' A' ' 35' ' ' MET . 18.4 mttt -111.01 -94.55 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.743 ' HB3' ' HB2' ' A' ' 181' ' ' ALA . 17.4 m 74.71 167.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.48 -36.11 21.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.455 ' CG ' ' CE2' ' A' ' 104' ' ' TYR . 0.1 OUTLIER -56.86 -58.02 9.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.855 ' HG2' HG11 ' A' ' 45' ' ' VAL . 2.1 tmt? -53.47 -53.47 51.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.3 m -56.97 -29.27 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.016 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.551 ' HD1' HG11 ' A' ' 5' ' ' VAL . 10.2 t90 -73.67 -36.5 65.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.047 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.964 ' HG ' HG11 ' A' ' 24' ' ' VAL . 0.3 OUTLIER -66.5 -66.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.39 -46.85 56.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -56.18 -17.3 16.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -96.04 -38.33 10.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 0.781 . . . . 0.0 110.3 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 113.97 59.99 0.39 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.483 ' HE2' HG13 ' A' ' 18' ' ' VAL . 15.0 m-85 -129.61 164.32 24.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.771 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.433 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -80.43 83.32 6.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.573 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.855 HG11 ' HG2' ' A' ' 35' ' ' MET . 97.7 t -72.38 117.28 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.828 ' CG2' HD12 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -145.91 144.09 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.718 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . 174.37 -177.35 46.58 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.843 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -123.97 157.76 33.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.482 ' OE1' HD12 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -114.91 97.56 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.963 HD21 ' HB3' ' A' ' 89' ' ' PHE . 1.5 mm? -69.43 75.61 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.788 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -152.09 133.25 14.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.009 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -98.1 -53.45 3.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.294 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -34.99 78.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.788 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -70.31 -35.82 73.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.592 HG23 ' SG ' ' A' ' 86' ' ' CYS . 0.9 OUTLIER -62.04 -51.47 72.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.48 -43.34 97.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -63.21 -37.12 85.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.404 ' O ' ' HD2' ' A' ' 62' ' ' ARG . 1.7 m-30 -64.15 -44.03 93.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.58 ' CE2' HG13 ' A' ' 55' ' ' VAL . 7.0 m-30 -71.21 -28.72 64.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.945 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -77.97 -37.54 47.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -69.98 -45.27 67.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 29.8 mtt85 -77.58 -33.35 53.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 73.92 38.69 48.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 2.1 mt-10 74.21 146.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.9 OUTLIER 162.54 -48.77 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.546 ' CD ' ' N ' ' A' ' 65' ' ' GLN . 18.4 Cg_endo -74.91 -163.31 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.453 1.765 . . . . 0.0 111.058 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -106.37 110.77 23.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.608 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 77' ' ' TYR . 7.2 mm -106.6 123.16 61.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.741 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.7 OUTLIER -124.47 151.0 45.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.8 m -107.49 101.43 10.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.534 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -89.56 85.42 6.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.62 -90.86 0.08 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.45 1.094 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -114.31 -13.89 12.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 0.724 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 20.2 m-85 -98.4 173.03 7.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.545 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.3 tttt -127.65 158.44 37.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.779 HG23 ' CB ' ' A' ' 85' ' ' TRP . 0.1 OUTLIER -142.28 107.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -109.03 102.91 11.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.51 142.87 27.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -117.36 155.93 49.49 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 112.34 3.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.518 1.799 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.09 -55.19 0.77 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.496 1.122 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.821 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -110.84 161.59 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.683 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -104.04 52.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.5 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.4 OUTLIER -104.65 122.69 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.843 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -111.33 105.61 14.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 107.987 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.592 ' SG ' HG23 ' A' ' 55' ' ' VAL . 3.7 t -71.28 137.83 48.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 108.28 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.549 ' HA2' HG21 ' A' ' 55' ' ' VAL . . . 139.83 -105.22 0.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -133.11 164.22 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.963 ' HB3' HD21 ' A' ' 50' ' ' LEU . 1.9 t80 -114.53 102.58 10.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.817 ' CZ ' ' CE1' ' A' ' 123' ' ' HIS . 0.2 OUTLIER 169.3 56.53 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 111.05 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . . . -154.68 -45.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.973 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -76.01 176.9 7.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.238 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 1.001 HG22 ' HG3' ' A' ' 95' ' ' ARG . 0.3 OUTLIER -111.48 86.8 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.417 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 1.033 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -51.18 -21.38 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 1.001 ' HG3' HG22 ' A' ' 93' ' ' THR . 5.7 ptm180 -81.2 -38.4 27.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.354 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.503 ' CB ' ' HB ' ' A' ' 93' ' ' THR . 36.8 t0 -71.85 -36.48 70.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.828 HD12 ' CG2' ' A' ' 46' ' ' VAL . 1.7 pt -79.62 -53.36 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.575 ' HA3' ' HG3' ' A' ' 129' ' ' PRO . . . -54.62 -61.8 6.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.494 1.122 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.599 ' N ' ' HG3' ' A' ' 129' ' ' PRO . 0.1 OUTLIER 43.59 -90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.783 . . . . 0.0 109.617 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.863 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 1.4 p -130.01 128.31 41.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 108.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.999 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 153.8 -111.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.994 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -173.38 -171.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.794 ' CE1' ' CA ' ' A' ' 134' ' ' GLY . 8.1 p90 -167.33 144.59 4.56 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.452 1.095 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.644 ' O ' ' HD2' ' A' ' 27' ' ' PRO . 74.9 t80 -100.01 114.99 28.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.626 ' CG ' HD12 ' A' ' 136' ' ' LEU . 6.4 t0 -101.56 134.45 44.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 ttm180 -101.31 172.01 7.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.97 ' HB2' ' HA ' ' A' ' 138' ' ' THR . . . -70.79 93.0 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' O ' HD23 ' A' ' 112' ' ' LEU . . . -118.48 -37.31 3.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.583 1.177 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.693 ' SD ' HD11 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.08 -28.65 68.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.679 HG22 ' HB ' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -71.45 -11.3 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.42 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -94.29 -51.37 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.584 ' HB2' ' HD2' ' A' ' 113' ' ' PRO . 0.3 OUTLIER -76.1 167.18 38.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.584 ' HD2' ' HB2' ' A' ' 112' ' ' LEU . 18.2 Cg_endo -74.99 160.51 40.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -46.96 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 114' ' ' ALA . 1.5 m-20 -39.12 -52.59 1.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.58 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 28.5 tpp -60.33 -43.27 96.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.852 ' O ' HG13 ' A' ' 121' ' ' VAL . 14.0 mtt180 -56.25 -48.62 76.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.598 ' HG2' HG21 ' A' ' 161' ' ' VAL . 1.9 mt-10 -59.12 -44.08 91.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.245 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -69.35 -22.08 63.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.419 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.5 OUTLIER -79.59 -50.04 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.852 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -63.77 -38.39 82.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 7.8 pt20 -69.31 -50.19 48.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.817 ' CE1' ' CZ ' ' A' ' 90' ' ' PHE . 36.4 t60 -58.26 -42.8 87.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.666 HD12 ' CZ3' ' A' ' 166' ' ' TRP . 0.9 OUTLIER -59.47 -65.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -54.23 -20.39 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.633 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -68.83 -56.68 7.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 1.033 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.01 13.58 4.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.934 ' HE1' ' HB1' ' A' ' 94' ' ' ALA . 8.2 mmt -85.81 159.72 54.31 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.599 ' HG3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.02 -95.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.474 1.776 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.605 ' O ' ' C ' ' A' ' 201' ' ' VAL . 0.0 OUTLIER -178.35 -32.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.863 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -119.67 104.27 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.697 ' O ' ' CB ' ' A' ' 200' ' ' ARG . 1.2 m -173.15 129.95 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 108.305 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.903 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.1 OUTLIER -83.89 107.39 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.046 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.794 ' CA ' ' CE1' ' A' ' 103' ' ' PHE . . . -86.26 134.69 12.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 1.083 HD13 HD11 ' A' ' 137' ' ' ILE . 0.4 OUTLIER -130.21 98.52 4.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.776 . . . . 0.0 109.246 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.059 ' O ' HD13 ' A' ' 137' ' ' ILE . 1.6 tp -83.16 143.47 30.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 1.083 HD11 HD13 ' A' ' 135' ' ' LEU . 5.9 mm -131.89 92.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.97 ' HA ' ' HB2' ' A' ' 107' ' ' ALA . 6.7 p -97.84 -178.89 4.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.46 ' CB ' ' OD2' ' A' ' 142' ' ' ASP . 0.0 OUTLIER -146.05 165.09 30.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.539 ' O ' ' C ' ' A' ' 141' ' ' TYR . 0.6 OUTLIER -127.9 -79.32 0.58 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.539 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.4 OUTLIER -25.75 -66.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.868 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.0 OUTLIER -30.41 142.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.467 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 0.8 OUTLIER 174.06 -32.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.62 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -127.44 52.41 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.016 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 174.78 -29.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 147' ' ' GLU . 0.1 OUTLIER -88.27 115.82 26.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.72 ' N ' HD12 ' A' ' 146' ' ' LEU . 41.6 mm-40 -39.42 102.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.434 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 92.2 133.14 6.05 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.457 1.098 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 112.02 3.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.529 1.805 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.46 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.2 Cg_endo -74.98 130.37 13.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -83.63 18.17 2.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.472 ' O ' ' C ' ' A' ' 153' ' ' VAL . 10.2 p 35.82 52.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.97 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.679 ' HB ' HG22 ' A' ' 110' ' ' ILE . 9.8 p -34.51 121.95 0.55 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.74 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -74.95 117.96 5.1 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.542 1.812 . . . . 0.0 111.025 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -40.31 -42.33 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.74 HG22 ' HB2' ' A' ' 154' ' ' PRO . 9.0 t -52.67 -35.0 54.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.616 ' CE2' HG11 ' A' ' 161' ' ' VAL . 84.4 t90 -62.45 -58.73 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.519 HD21 ' CE ' ' A' ' 109' ' ' MET . 1.9 mt -49.39 -40.21 35.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.564 ' O ' ' CB ' ' A' ' 163' ' ' SER . 53.0 t-80 -72.29 -23.14 61.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.599 ' CG ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -81.93 -33.99 30.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.642 HG22 ' N ' ' A' ' 162' ' ' MET . 0.2 OUTLIER -114.23 -72.15 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.642 ' N ' HG22 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -38.46 -30.95 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.564 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 10.9 t -53.86 88.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.653 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 162.9 105.34 0.19 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.488 1.118 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.653 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 10.1 t-20 96.23 -19.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 0.742 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.666 ' CZ3' HD12 ' A' ' 124' ' ' LEU . 0.0 OUTLIER -146.32 130.99 17.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 107.974 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 4.0 mt-10 -92.0 91.79 8.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.813 HG12 ' HB3' ' A' ' 198' ' ' LEU . 2.5 m -68.18 133.26 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 109.274 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.898 ' O ' HG12 ' A' ' 171' ' ' VAL . 0.5 OUTLIER -125.79 113.22 16.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.375 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.97 140.8 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 1.009 HG11 HG23 ' A' ' 197' ' ' VAL . 0.3 OUTLIER -172.3 171.93 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.603 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 114.18 -167.82 12.42 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.453 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -167.34 -173.28 35.39 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.514 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 0.6 OUTLIER -113.7 154.5 27.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.461 0.742 . . . . 0.0 110.254 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 70.95 17.17 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.974 HG23 ' HB3' ' A' ' 193' ' ' GLU . 2.4 t -116.86 74.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.956 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -82.13 -35.73 28.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.949 ' CD2' HD21 ' A' ' 184' ' ' LEU . 0.1 OUTLIER -49.88 -46.06 51.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.489 ' C ' ' O ' ' A' ' 178' ' ' HIS . 4.5 m -31.72 -56.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.452 ' N ' ' OE2' ' A' ' 193' ' ' GLU . 32.8 t -85.21 151.85 23.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.743 ' HB2' ' HB3' ' A' ' 32' ' ' SER . . . -85.03 -60.47 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' A' ' 106' ' ' ARG . 0.6 OUTLIER -39.41 -36.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 110.276 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.532 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -58.1 -56.28 26.04 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.949 HD21 ' CD2' ' A' ' 178' ' ' HIS . 3.3 mt -57.75 -32.06 67.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 0.8 . . . . 0.0 109.26 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -70.64 -31.11 67.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.637 ' HB1' ' HA ' ' A' ' 146' ' ' LEU . . . -87.02 -39.17 15.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.406 ' O ' HD23 ' A' ' 145' ' ' LEU . . . 101.3 66.25 0.79 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.536 1.147 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 1.016 HD13 HD21 ' A' ' 145' ' ' LEU . 3.7 mm? -92.24 -16.06 26.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 0.74 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.502 ' C ' ' O ' ' A' ' 188' ' ' LEU . 6.0 pt-20 29.83 70.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.949 ' H ' HD12 ' A' ' 177' ' ' LEU . 0.0 OUTLIER 70.71 99.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.308 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.694 ' HG3' ' HB3' ' A' ' 188' ' ' LEU . 4.1 mmt -147.95 155.49 41.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.514 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.9 t0 -48.88 114.04 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.974 ' HB3' HG23 ' A' ' 176' ' ' THR . 1.0 OUTLIER -121.66 121.6 37.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.303 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 27.7 m170 -93.1 150.44 20.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.748 ' C ' HG13 ' A' ' 171' ' ' VAL . 75.4 t -141.18 151.79 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.811 ' CZ ' HG23 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -146.32 125.2 12.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.995 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 1.009 HG23 HG11 ' A' ' 171' ' ' VAL . 51.9 t -97.21 93.3 3.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.813 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -96.51 109.63 22.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.574 ' O ' HG13 ' A' ' 201' ' ' VAL . 0.8 OUTLIER -79.21 98.93 6.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.887 ' CZ ' ' SD ' ' A' ' 128' ' ' MET . 11.2 ttm180 -62.97 98.86 0.14 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.087 . . . . 0.0 110.291 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.605 ' C ' ' O ' ' A' ' 130' ' ' GLN . 17.8 m . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -174.55 -38.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -54.55 -59.78 4.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -137.89 84.9 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 5' ' ' VAL . 1.0 OUTLIER -131.64 78.21 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.583 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 32.05 97.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.95 -34.74 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -67.42 -51.61 49.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.749 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.7 tm? -49.99 -64.24 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 14' ' ' SER . 12.0 pt20 -57.57 -34.49 69.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 1.4 tt0 -68.81 -79.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.67 ' CE2' HG21 ' A' ' 171' ' ' VAL . 48.6 m-85 -43.81 -54.6 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.969 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.1 t-105 -51.05 -55.33 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -45.83 -40.06 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -79.23 -49.66 12.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.496 HD13 ' HA ' ' A' ' 16' ' ' LEU . 0.3 OUTLIER -39.25 -51.47 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.462 ' HB3' ' O ' ' A' ' 16' ' ' LEU . 17.0 t-20 67.31 39.55 2.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG12 ' CB ' ' A' ' 22' ' ' ALA . 75.2 t -50.79 142.92 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.137 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -37.75 150.19 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 104.73 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.507 1.793 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 107.86 -6.22 35.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.137 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -36.67 155.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.892 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 21.1 mmt-85 -81.41 114.6 20.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.553 HG13 ' HH2' ' A' ' 13' ' ' TRP . 12.0 t -105.76 108.77 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.742 HD23 ' HB2' ' A' ' 103' ' ' PHE . 0.1 OUTLIER -99.55 154.01 18.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.725 HG12 ' HB3' ' A' ' 104' ' ' TYR . 31.4 m -151.86 103.22 2.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 1.027 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -74.97 128.09 11.23 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.984 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.027 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 35.58 35.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.283 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.613 ' SG ' ' O ' ' A' ' 29' ' ' CYS . 23.2 t -127.12 33.08 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -32.4 -41.68 0.11 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 30' ' ' GLY . 3.3 tttp 41.38 -163.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 0.0 109.299 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 35' ' ' MET . 0.3 OUTLIER -152.59 -44.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.032 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.551 HE22 ' HB2' ' A' ' 181' ' ' ALA . 1.4 mp0 -73.18 -38.66 66.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.254 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 22.7 t70 -62.52 -58.35 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.474 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.8 OUTLIER -60.88 -35.94 77.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.3 m -67.62 -36.02 80.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.034 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.58 ' HB2' HG21 ' A' ' 5' ' ' VAL . 44.4 t90 -68.25 -48.38 65.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 108.008 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 35' ' ' MET . 8.2 mt -59.73 -63.48 1.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.78 -43.73 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.966 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -69.96 -28.86 71.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 38' ' ' LEU . 2.1 tp60 -83.06 -30.0 28.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 0.772 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 38' ' ' LEU . . . 102.4 71.3 0.89 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.953 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -142.52 170.44 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.55 0.794 . . . . 0.0 111.046 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.1 97.68 10.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.844 HG12 HD11 ' A' ' 82' ' ' ILE . 21.3 t -88.32 99.5 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.673 HG21 ' CD1' ' A' ' 97' ' ' ILE . 1.4 p -136.12 106.57 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.699 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -136.29 -177.48 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 1.133 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -135.39 156.73 48.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.608 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -120.61 130.78 54.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 87' ' ' GLY . 0.1 OUTLIER -102.7 67.8 1.0 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.944 ' O ' HG13 ' A' ' 55' ' ' VAL . 44.0 m -153.5 95.49 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.745 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.3 OUTLIER -58.39 -59.23 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.53 -38.68 55.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.503 ' CB ' ' HB3' ' A' ' 51' ' ' SER . . . -59.1 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.944 HG13 ' O ' ' A' ' 51' ' ' SER . 0.9 OUTLIER -57.09 -34.35 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 24.4 mt-10 -64.14 -45.79 86.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -66.15 -29.87 70.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.297 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD2' ' HE2' ' A' ' 77' ' ' TYR . 2.8 m-30 -73.03 -37.47 66.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 6.1 m-30 -76.04 -29.35 58.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.73 -35.46 33.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.86 -41.69 61.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.303 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 58' ' ' TYR . 16.2 mtt85 -82.53 -34.93 27.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.305 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.84 37.26 26.51 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 1.7 mt-10 73.52 150.67 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 0.744 . . . . 0.0 110.34 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.546 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 1.1 mt-30 161.97 -48.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.547 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -177.29 3.36 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -89.75 112.49 23.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.607 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.681 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 37.9 mm -107.19 121.14 59.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.639 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -123.82 147.42 47.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.4 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.0 m -104.73 104.47 14.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.454 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -92.23 85.61 5.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 110.324 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.61 -91.29 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.74 -6.7 11.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.661 ' CG ' ' CB ' ' A' ' 88' ' ' ASP . 21.4 m-85 -104.03 173.35 6.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.023 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.549 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.6 tttt -128.24 160.17 32.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.639 HG13 HG22 ' A' ' 69' ' ' THR . 1.8 m -142.87 109.2 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.699 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -107.68 101.02 10.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 111.021 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -99.83 143.89 29.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -112.07 155.26 43.68 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 4.72 4.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -102.41 -47.0 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.844 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -132.99 172.06 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 0.792 . . . . 0.0 109.235 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.711 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -100.94 51.49 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.521 ' O ' ' O ' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -106.4 114.04 44.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 109.263 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 1.133 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -101.26 102.31 13.16 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.629 ' SG ' HG12 ' A' ' 55' ' ' VAL . 0.9 OUTLIER -70.54 140.01 51.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.355 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.752 ' HA2' HG11 ' A' ' 55' ' ' VAL . . . 137.27 -99.01 0.28 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.661 ' CB ' ' CG ' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -138.24 163.39 31.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.559 0.799 . . . . 0.0 109.269 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.811 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 1.3 t80 -109.55 106.52 16.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.477 ' O ' ' HB2' ' A' ' 91' ' ' ALA . 0.1 OUTLIER 178.0 45.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' A' ' 90' ' ' PHE . . . 176.87 59.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -143.73 -32.04 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.988 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 65.29 74.9 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.687 ' O ' ' HA3' ' A' ' 98' ' ' GLY . . . -55.96 -12.8 1.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.988 ' HG2' HG22 ' A' ' 93' ' ' THR . 16.1 ptt180 -79.84 -49.44 11.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.227 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.459 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 5.9 t0 -69.47 -51.13 38.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.098 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.917 HG21 ' CD2' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -71.65 -34.71 53.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.687 ' HA3' ' O ' ' A' ' 94' ' ' ALA . . . -65.73 -76.31 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.788 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.3 OUTLIER 60.02 -84.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 0.78 . . . . 0.0 109.571 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.792 ' HA ' ' O ' ' A' ' 131' ' ' ALA . 32.1 p -143.33 141.37 30.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.307 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.915 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 148.12 -106.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.969 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -171.41 172.23 5.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.742 ' HB2' HD23 ' A' ' 25' ' ' LEU . 2.1 p90 -155.89 117.54 3.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 1.051 ' CZ ' HD13 ' A' ' 137' ' ' ILE . 3.7 t80 -91.18 144.28 25.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' OD1' ' CG ' ' A' ' 27' ' ' PRO . 3.0 m-20 -128.11 140.31 52.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.487 ' HB3' ' SG ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -104.82 172.25 6.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.976 ' CB ' HD11 ' A' ' 139' ' ' LEU . . . -49.65 97.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -130.84 -48.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.888 ' SD ' HD21 ' A' ' 136' ' ' LEU . 0.0 OUTLIER -66.88 -22.17 65.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 1.029 HG22 HG23 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -72.36 -3.87 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.427 ' N ' HD13 ' A' ' 110' ' ' ILE . . . -126.28 20.26 7.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.343 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.957 HD23 ' CG ' ' A' ' 116' ' ' MET . 1.2 mp -129.45 148.55 69.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.621 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 154.81 42.67 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.021 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 117' ' ' ARG . . . -41.19 -66.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 114' ' ' ALA . 15.1 t70 -39.32 -48.2 1.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.957 ' CG ' HD23 ' A' ' 112' ' ' LEU . 9.6 tpp -69.37 -33.97 73.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.925 ' O ' HG13 ' A' ' 121' ' ' VAL . 2.4 mmp_? -57.61 -52.64 64.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.718 ' HG2' HG21 ' A' ' 161' ' ' VAL . 3.3 mt-10 -64.94 -48.86 72.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' A' ' 116' ' ' MET . 0.0 OUTLIER -59.66 -24.26 63.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.573 ' OH ' HD21 ' A' ' 28' ' ' LEU . 37.9 t80 -81.71 -60.27 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.925 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -56.43 -33.36 38.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.537 ' CG ' ' N ' ' A' ' 123' ' ' HIS . 6.7 pt20 -74.9 -49.57 19.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.537 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 19.7 t60 -58.22 -34.76 70.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.733 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -69.36 -64.62 0.84 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.549 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 0.2 OUTLIER -51.66 -20.49 2.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.46 -60.84 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.708 HD12 ' C ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -82.01 1.72 34.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.761 ' HB3' ' HD2' ' A' ' 129' ' ' PRO . 2.0 mmt -64.49 178.85 0.42 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.788 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.01 -99.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.521 1.801 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.478 ' O ' ' C ' ' A' ' 201' ' ' VAL . 2.8 mt-30 174.47 -47.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.792 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -123.7 83.25 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.671 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 1.7 p -151.61 170.82 18.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.132 . . . . 0.0 108.291 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.783 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -115.6 110.67 19.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.977 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.695 ' HA3' ' CE2' ' A' ' 103' ' ' PHE . . . -87.63 138.59 15.34 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.724 HD13 HG23 ' A' ' 197' ' ' VAL . 6.5 tp -128.12 100.17 5.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 0.737 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.888 HD21 ' SD ' ' A' ' 109' ' ' MET . 0.9 OUTLIER -87.46 140.73 29.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 1.051 HD13 ' CZ ' ' A' ' 104' ' ' TYR . 3.0 mp -135.12 114.61 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.602 ' HB ' HG21 ' A' ' 110' ' ' ILE . 29.5 p -120.1 -174.34 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.417 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.976 HD11 ' CB ' ' A' ' 107' ' ' ALA . 0.0 OUTLIER -144.99 175.46 10.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' TYR . 22.5 tt0 -134.58 -86.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.3 OUTLIER -21.11 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.663 ' HB3' HD11 ' A' ' 188' ' ' LEU . 0.2 OUTLIER -29.54 144.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.49 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 12.6 pt20 167.85 -28.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.289 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.604 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -121.73 47.48 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.002 HD21 HD13 ' A' ' 188' ' ' LEU . 0.0 OUTLIER 176.03 -30.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.698 ' N ' HD22 ' A' ' 145' ' ' LEU . 1.8 tp -89.02 120.53 30.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -42.7 101.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.258 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 95.67 122.46 3.98 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 113.52 3.81 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 110.986 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.471 ' HB3' ' CG1' ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.07 125.26 9.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.5 OUTLIER -85.59 30.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.953 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.553 ' C ' ' O ' ' A' ' 151' ' ' PHE . 1.7 p 26.24 85.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.006 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 1.029 HG23 HG22 ' A' ' 110' ' ' ILE . 1.7 t -62.73 127.24 90.1 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.362 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.756 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.2 Cg_endo -74.97 111.99 3.46 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.474 1.776 . . . . 0.0 111.041 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.645 ' HG2' ' CE1' ' A' ' 196' ' ' TYR . 1.3 mt-30 -39.64 -30.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.128 . . . . 0.0 110.264 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.756 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.8 t -65.51 -37.57 87.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.607 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 9.7 t90 -63.66 -43.26 97.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.803 HD21 HD13 ' A' ' 136' ' ' LEU . 2.3 mp -61.2 -57.36 12.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.544 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.7 t-80 -62.04 -17.16 56.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.595 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.519 ' HG2' ' N ' ' A' ' 161' ' ' VAL . 10.6 ttm180 -78.92 -60.47 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.718 HG21 ' HG2' ' A' ' 118' ' ' GLU . 0.2 OUTLIER -96.16 -49.71 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.656 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -58.92 5.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 111.021 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.643 ' H ' ' C ' ' A' ' 161' ' ' VAL . 48.0 t -108.82 97.08 6.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.985 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.584 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 171.68 46.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.584 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 1.6 m120 149.88 -14.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 0.791 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.656 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.72 120.77 10.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 108.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.578 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 1.9 mt-10 -74.57 89.51 2.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.275 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.75 HG12 ' HB3' ' A' ' 198' ' ' LEU . 2.7 m -74.26 126.02 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.922 HG22 HG12 ' A' ' 197' ' ' VAL . 0.6 OUTLIER -120.74 145.37 47.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.593 ' HA ' ' CD1' ' A' ' 196' ' ' TYR . 10.2 pttt -69.43 141.59 54.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.67 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -170.69 167.32 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.563 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 104.03 -159.05 16.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.508 1.13 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.604 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 178.14 179.61 48.2 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.589 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 18.5 pt20 -109.52 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 65.13 10.84 6.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 176' ' ' THR . 10.2 t -116.56 74.33 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.45 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.649 HD12 ' C ' ' A' ' 177' ' ' LEU . 0.6 OUTLIER -70.2 -39.22 75.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.418 ' N ' HD12 ' A' ' 177' ' ' LEU . 0.1 OUTLIER -53.47 -19.61 3.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.6 p -57.56 -27.08 62.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.976 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.42 160.99 33.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.551 ' HB2' HE22 ' A' ' 33' ' ' GLN . . . -86.8 -29.64 22.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -20.3 2.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 1.044 ' HA2' HD23 ' A' ' 188' ' ' LEU . . . -61.39 -54.07 39.11 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.68 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.6 OUTLIER -83.1 -15.98 48.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.776 . . . . 0.0 109.337 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.75 -38.09 70.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.591 ' CB ' HD13 ' A' ' 146' ' ' LEU . . . -106.52 -31.94 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 183' ' ' GLY . . . 93.8 73.47 1.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 1.044 HD23 ' HA2' ' A' ' 183' ' ' GLY . 3.8 mm? -86.22 -51.11 6.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.401 0.707 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 15.5 mm-40 76.56 -3.37 2.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 159.05 102.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.464 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -145.61 155.23 42.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.589 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -81.01 128.75 34.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.604 ' O ' ' O ' ' A' ' 173' ' ' GLY . 1.0 OUTLIER -120.43 116.88 26.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -91.99 155.78 17.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.59 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.864 HG22 HG13 ' A' ' 137' ' ' ILE . 55.1 t -146.25 148.73 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.729 ' O ' HD23 ' A' ' 198' ' ' LEU . 0.0 OUTLIER -141.32 114.6 8.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.992 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.922 HG12 HG22 ' A' ' 169' ' ' THR . 6.0 p -88.3 98.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.75 ' HB3' HG12 ' A' ' 168' ' ' VAL . 0.2 OUTLIER -100.24 126.12 46.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.249 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 1.1 tt0 -92.6 104.73 17.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.671 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.2 OUTLIER -68.81 98.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.5 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -178.52 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -42.4 -65.05 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -140.4 84.58 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.077 . . . . 0.0 110.295 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 6' ' ' ASN . 1.6 p -131.69 78.22 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.534 ' C ' ' O ' ' A' ' 5' ' ' VAL . 14.0 t30 28.9 93.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -41.71 -36.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.536 ' OD2' HG21 ' A' ' 195' ' ' VAL . 1.3 m-20 -64.72 -53.4 47.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.605 HD23 ' CE1' ' A' ' 104' ' ' TYR . 3.2 tm? -50.63 -64.66 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 14' ' ' SER . 15.6 pt20 -53.83 -34.39 59.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 3.3 tp60 -70.54 -76.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.524 ' CE2' HG21 ' A' ' 171' ' ' VAL . 25.7 m-85 -43.83 -52.39 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.941 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 3.7 t-105 -55.06 -50.95 67.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 108.044 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.4 m -51.46 -31.94 25.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.97 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -55.08 3.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -40.35 -42.54 1.58 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.9 t30 45.67 32.3 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.506 HG13 ' HE2' ' A' ' 43' ' ' TYR . 10.9 p -44.37 154.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.115 HG23 ' HB2' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -32.78 143.72 0.15 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 108.32 2.69 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 43' ' ' TYR . . . 103.76 0.98 46.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.115 ' HB2' HG23 ' A' ' 19' ' ' VAL . . . -41.13 160.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 0.746 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.964 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.2 mmt85 -81.94 113.39 19.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.842 HG11 ' CD2' ' A' ' 38' ' ' LEU . 5.0 t -104.46 113.28 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.953 HD22 ' HE1' ' A' ' 128' ' ' MET . 0.1 OUTLIER -93.05 153.46 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.241 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.867 HG13 ' HA3' ' A' ' 47' ' ' GLY . 0.2 OUTLIER -139.88 91.13 10.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.955 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.1 Cg_endo -75.02 119.79 5.79 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.525 1.803 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.977 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER 31.8 68.85 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.779 ' CB ' HG23 ' A' ' 26' ' ' VAL . 4.5 t -117.64 -33.74 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 108.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.86 -100.89 2.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.432 1.083 . . . . 0.0 110.965 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.554 ' HE3' ' CZ ' ' A' ' 58' ' ' TYR . 8.4 pttp -179.41 130.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 0.779 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -160.9 -153.21 0.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 37' ' ' TRP . 1.1 mp0 -71.54 -20.63 62.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.517 ' HB3' ' CE2' ' A' ' 104' ' ' TYR . 1.0 OUTLIER -65.48 -57.91 7.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.468 ' C ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -69.25 -35.6 76.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -67.91 -28.79 67.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.536 ' CE3' HD12 ' A' ' 38' ' ' LEU . 9.4 t90 -77.7 -42.33 34.86 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 108.024 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.842 ' CD2' HG11 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -56.75 -64.12 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.8 p -58.66 -51.91 67.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -52.89 -17.91 5.36 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -94.08 -37.46 11.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 0.749 . . . . 0.0 110.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.75 60.38 0.24 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 111.025 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.506 ' HE2' HG13 ' A' ' 18' ' ' VAL . 20.8 m-85 -138.97 165.79 26.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.412 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 0.1 OUTLIER -81.68 99.92 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.604 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.799 HG12 HD11 ' A' ' 82' ' ' ILE . 42.8 t -93.38 97.09 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.931 HG13 HD12 ' A' ' 97' ' ' ILE . 2.3 p -132.47 117.68 32.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.867 ' HA3' HG13 ' A' ' 26' ' ' VAL . . . -153.93 -172.67 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.905 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -145.75 167.18 23.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.625 ' O ' ' C ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -122.35 134.57 54.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.314 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.692 ' CD2' ' HB3' ' A' ' 89' ' ' PHE . 2.2 mm? -96.03 63.45 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.686 ' O ' ' CG1' ' A' ' 55' ' ' VAL . 37.8 m -151.99 143.39 23.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -98.22 -62.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.06 -23.66 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' HB3' ' CB ' ' A' ' 51' ' ' SER . . . -70.38 -46.56 63.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.715 ' O ' ' CD1' ' A' ' 59' ' ' PHE . 0.6 OUTLIER -61.25 -48.78 87.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' N ' ' CG2' ' A' ' 55' ' ' VAL . 2.0 mt-10 -60.48 -45.83 92.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -64.13 -26.33 68.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.554 ' CZ ' ' HE3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -73.2 -44.25 60.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 111.034 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.715 ' CD1' ' O ' ' A' ' 55' ' ' VAL . 0.6 OUTLIER -69.26 -32.13 71.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -39.08 24.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HG3' ' NE ' ' A' ' 57' ' ' ARG . 6.6 mm-40 -61.72 -45.96 91.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB3' ' HG2' ' A' ' 64' ' ' GLU . 0.5 OUTLIER -84.37 -38.5 20.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 72.8 42.77 44.89 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 66' ' ' PRO . 3.2 pt-20 -147.13 62.02 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 110.271 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 64' ' ' GLU . 4.3 pt20 -32.49 93.49 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.666 ' HG2' ' CD2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.0 -154.98 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 0.2 OUTLIER -65.55 78.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.628 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.662 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 48.1 mm -92.18 117.44 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.658 HG22 HG13 ' A' ' 76' ' ' VAL . 0.3 OUTLIER -126.71 143.18 51.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 110.379 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 24.9 t -99.73 117.23 33.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.506 ' OE1' ' CA ' ' A' ' 71' ' ' GLN . 0.1 OUTLIER -106.74 85.54 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.78 -97.42 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' CD1' ' A' ' 74' ' ' PHE . 2.1 t0 -113.31 27.85 9.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 0.747 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.606 ' CE1' ' OD1' ' A' ' 88' ' ' ASP . 19.7 m-85 -140.62 172.76 12.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.458 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 2.9 tttp -129.31 161.06 31.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.658 HG13 HG22 ' A' ' 69' ' ' THR . 1.3 m -142.09 106.33 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.818 ' O ' ' CD1' ' A' ' 77' ' ' TYR . 0.3 OUTLIER -102.23 101.55 11.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.512 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -103.71 123.96 47.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.72 156.6 40.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 89.03 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 158.05 -64.41 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.799 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -99.03 172.17 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.678 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -109.79 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.574 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -107.03 119.54 56.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.905 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -109.42 109.64 20.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.994 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.561 ' HB2' ' CD1' ' A' ' 77' ' ' TYR . 1.6 t -75.09 141.85 43.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 108.308 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.625 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 136.47 -94.22 0.23 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.657 ' O ' ' CZ3' ' A' ' 85' ' ' TRP . 3.9 t70 -135.39 161.83 34.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.863 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -137.52 128.76 27.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.699 ' HB3' ' O ' ' A' ' 89' ' ' PHE . 0.4 OUTLIER 168.57 -22.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.417 ' N ' ' CD1' ' A' ' 90' ' ' PHE . . . -109.24 59.71 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.922 HD13 ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -146.09 -28.93 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.94 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 70.17 90.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.387 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.898 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -58.7 -14.25 8.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.94 ' HG2' HG22 ' A' ' 93' ' ' THR . 19.1 ptt180 -83.07 -43.4 16.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -61.88 -45.9 91.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.931 HD12 HG13 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -78.71 -51.09 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -53.43 -72.8 0.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.696 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 8.0 t-80 55.53 -81.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 0.764 . . . . 0.0 109.629 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.786 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 30.2 p -143.98 132.1 21.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.287 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.979 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 149.32 -108.64 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.941 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -166.94 -178.36 4.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.721 ' HB2' HD23 ' A' ' 25' ' ' LEU . 1.8 p90 -162.91 127.01 2.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.605 ' CE1' HD23 ' A' ' 9' ' ' LEU . 8.3 t80 -93.23 113.29 25.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 106' ' ' ARG . 49.0 t0 -99.16 134.16 42.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -96.12 172.15 8.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.963 ' HB1' HD11 ' A' ' 110' ' ' ILE . . . -67.45 94.43 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -126.25 -38.36 2.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.571 ' HB2' ' NH2' ' A' ' 117' ' ' ARG . 7.7 mmt -63.73 -37.9 89.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.963 HD11 ' HB1' ' A' ' 107' ' ' ALA . 9.8 pt -65.34 -12.02 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -88.93 7.11 36.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.553 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.0 OUTLIER -140.42 166.78 20.9 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.3 Cg_endo -74.97 -157.8 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.77 . . . . 0.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.64 -63.21 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 38.3 t0 -39.67 -61.99 0.75 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.553 ' HB3' ' HB2' ' A' ' 112' ' ' LEU . 18.2 tpp -54.9 -39.84 69.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.772 ' CZ ' HG21 ' A' ' 153' ' ' VAL . 0.0 OUTLIER -55.52 -55.87 26.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 157' ' ' TRP . 4.5 mt-10 -65.58 -23.35 66.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 116' ' ' MET . 0.6 OUTLIER -69.59 -55.49 9.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 110.289 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.463 ' O ' ' HB2' ' A' ' 124' ' ' LEU . 2.3 t80 -72.51 -34.53 67.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.726 HG22 ' CE ' ' A' ' 162' ' ' MET . 1.2 t -60.33 -58.74 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.61 ' N ' HG12 ' A' ' 121' ' ' VAL . 12.2 pt20 -58.55 -49.47 77.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.445 ' N ' ' CG ' ' A' ' 122' ' ' GLN . 3.5 m170 -55.08 -36.56 65.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.627 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.664 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -67.43 -64.86 0.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.518 ' HA ' ' HG3' ' A' ' 128' ' ' MET . 1.5 pp20? -51.27 -19.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.267 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.57 -52.24 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.343 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.898 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -84.5 -4.82 59.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.953 ' HE1' HD22 ' A' ' 25' ' ' LEU . 5.6 mmt -60.53 174.15 0.54 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.696 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.3 Cg_endo -75.04 -165.11 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -101.3 -49.36 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.675 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -138.28 97.54 3.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.541 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 35.9 m -150.29 154.7 38.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 108.304 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.785 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -97.73 107.72 20.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.005 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.68 ' HA3' ' CZ ' ' A' ' 103' ' ' PHE . . . -89.69 146.28 18.77 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.567 1.167 . . . . 0.0 110.958 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.64 108.16 6.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.79 . . . . 0.0 109.289 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.596 HD12 HD21 ' A' ' 198' ' ' LEU . 0.4 OUTLIER -89.7 136.71 32.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.528 HG13 ' CZ ' ' A' ' 104' ' ' TYR . 13.0 mm -118.79 93.79 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.551 HG23 HD22 ' A' ' 136' ' ' LEU . 34.5 p -105.19 174.0 6.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.985 HD23 ' CE ' ' A' ' 191' ' ' MET . 0.0 OUTLIER -141.87 179.11 7.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 141' ' ' TYR . 5.7 mt-10 -136.3 -73.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.498 ' O ' ' C ' ' A' ' 142' ' ' ASP . 68.8 t80 -32.43 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.7 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.4 OUTLIER -31.98 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.516 ' HA ' ' HA ' ' A' ' 149' ' ' PRO . 7.8 pt20 164.87 -21.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.553 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -132.67 48.73 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.867 HD21 ' CG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 178.21 -34.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.748 ' N ' HD22 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -86.28 166.07 15.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.438 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -64.68 110.26 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.417 1.073 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 63.63 142.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.2 Cg_endo -75.08 119.72 5.74 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.468 1.773 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.538 ' HB3' HD12 ' A' ' 110' ' ' ILE . 18.5 Cg_endo -74.94 132.7 15.8 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.762 . . . . 0.0 111.037 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 152' ' ' SER . 0.3 OUTLIER -78.81 13.37 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 151' ' ' PHE . 11.9 p 35.83 54.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.975 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.772 HG21 ' CZ ' ' A' ' 117' ' ' ARG . 11.8 p -46.72 122.29 7.05 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.782 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.6 Cg_endo -74.95 129.08 12.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.623 ' HB2' ' CE1' ' A' ' 196' ' ' TYR . 20.5 tp60 -43.6 -39.55 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.259 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.782 HG22 ' HB2' ' A' ' 154' ' ' PRO . 10.2 t -56.48 -31.67 64.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.414 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.664 ' CZ3' ' NH1' ' A' ' 117' ' ' ARG . 36.9 t90 -66.55 -55.78 13.87 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.639 ' O ' ' HB2' ' A' ' 162' ' ' MET . 1.5 mt -55.83 -28.08 54.55 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.688 ' O ' ' CB ' ' A' ' 163' ' ' SER . 27.7 t-80 -84.59 -21.06 30.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.645 ' CG ' HG12 ' A' ' 161' ' ' VAL . 0.0 OUTLIER -84.21 -34.44 23.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.576 1.172 . . . . 0.0 110.285 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.679 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.16 -63.34 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.726 ' CE ' HG22 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -56.23 6.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 111.004 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.688 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 41.7 t -99.01 95.31 7.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.966 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.518 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 154.09 51.59 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.456 1.097 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 201' ' ' VAL . 3.5 m-20 155.09 -24.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.322 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.7 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -146.2 116.09 7.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 107.984 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -73.94 99.11 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.872 HG13 ' HG ' ' A' ' 198' ' ' LEU . 0.4 OUTLIER -87.6 131.74 34.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.867 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -123.9 145.06 49.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -68.48 134.09 49.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.524 HG21 ' CE2' ' A' ' 12' ' ' TYR . 0.2 OUTLIER -160.74 165.0 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.512 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 95.41 -143.72 16.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.497 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 158.19 -165.78 33.91 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.1 pp0? -110.6 174.02 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 0.786 . . . . 0.0 110.282 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . 0.407 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 0.6 OUTLIER 74.93 6.19 4.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.243 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.687 HG23 ' O ' ' A' ' 176' ' ' THR . 10.3 t -115.68 74.68 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 1.067 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -83.43 -34.34 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.256 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.473 ' N ' HD13 ' A' ' 177' ' ' LEU . 4.5 p80 -58.39 -42.35 86.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.642 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.1 -65.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.472 ' HB3' ' CE ' ' A' ' 191' ' ' MET . 26.1 t -72.96 121.18 19.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.029 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -64.66 -44.08 91.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.4 ' NH2' ' NZ ' ' A' ' 185' ' ' LYS . 0.2 OUTLIER -46.4 -41.05 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.275 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.542 ' HA3' ' CD2' ' A' ' 177' ' ' LEU . . . -58.75 -62.78 5.86 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.528 1.143 . . . . 0.0 111.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 4.4 mt -48.87 -36.23 16.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . 0.4 ' NZ ' ' NH2' ' A' ' 182' ' ' ARG . 3.0 tttp -59.16 -53.76 54.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.797 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -68.48 -40.04 81.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 93.11 76.84 1.35 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.867 ' CG ' HD21 ' A' ' 145' ' ' LEU . 2.0 mp -111.53 -22.03 11.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 0.762 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.676 ' HA ' HD12 ' A' ' 177' ' ' LEU . 16.0 pt-20 37.21 30.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 189' ' ' GLU . 0.2 OUTLIER 159.7 96.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.985 ' CE ' HD23 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -150.69 153.67 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.972 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.488 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 5.3 m-20 -83.97 122.12 28.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.497 ' O ' ' O ' ' A' ' 173' ' ' GLY . 23.4 tt0 -114.43 114.3 25.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -99.54 123.05 43.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.654 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.567 ' O ' ' CD1' ' A' ' 196' ' ' TYR . 42.6 t -112.44 150.41 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.664 ' HB3' HG12 ' A' ' 168' ' ' VAL . 14.2 m-85 -143.02 117.64 9.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.867 HG12 HG22 ' A' ' 169' ' ' THR . 2.3 p -84.83 100.74 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.872 ' HG ' HG13 ' A' ' 168' ' ' VAL . 0.0 OUTLIER -99.28 96.61 7.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.68 100.58 5.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.579 ' CD ' ' HB3' ' A' ' 128' ' ' MET . 0.0 OUTLIER -66.51 105.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 165' ' ' ASN . 16.0 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.8 p-80 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.83 -72.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.76 -81.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.022 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' ' 4' ' ' GLU . 1.7 pt-20 -140.47 84.81 1.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' ' 37' ' ' TRP . 1.5 p -131.1 78.3 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.517 ' HB3' ' CB ' ' A' ' 9' ' ' LEU . 7.2 t30 32.94 93.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -44.38 -35.0 2.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 12' ' ' TYR . 12.1 m-20 -65.89 -50.27 65.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.522 ' C ' HD13 ' A' ' 9' ' ' LEU . 3.3 tm? -53.49 -63.7 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.555 ' O ' ' CB ' ' A' ' 14' ' ' SER . 5.4 pt20 -56.33 -31.17 63.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 7' ' ' LYS . 6.7 tp60 -73.26 -77.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.899 ' CE1' HG21 ' A' ' 197' ' ' VAL . 27.3 m-85 -43.89 -47.03 8.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.108 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 4.4 t-105 -61.59 -49.11 77.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 3.2 t -51.14 -42.7 60.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . 3.2 m -79.13 -48.12 14.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.513 ' HA ' HD13 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -40.13 -42.67 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 61.92 57.47 2.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 90.9 t -70.6 139.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.891 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.1 p -42.69 145.42 0.86 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.82 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.1 Cg_endo -75.03 45.63 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 174.52 33.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.059 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -90.88 157.88 17.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.896 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 5.6 mmt85 -90.82 127.34 36.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.735 HG13 ' HH2' ' A' ' 13' ' ' TRP . 11.4 t -107.21 105.65 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.967 HD23 HD11 ' A' ' 97' ' ' ILE . 1.7 tm? -86.3 134.03 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.618 ' HB ' ' CB ' ' A' ' 29' ' ' CYS . 11.1 m -136.08 106.04 9.55 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.0 134.08 17.38 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.475 1.777 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.75 ' HB3' HD23 ' A' ' 50' ' ' LEU . 0.0 OUTLIER 33.95 36.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.618 ' CB ' ' HB ' ' A' ' 26' ' ' VAL . 1.9 t -90.37 -35.01 15.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 108.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.5 ' HA2' HD12 ' A' ' 84' ' ' ILE . . . 64.2 -102.04 0.55 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -133.72 155.07 50.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 0.78 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.64 171.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.033 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -55.1 -32.55 62.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -60.48 -57.33 13.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.866 ' HG2' HG11 ' A' ' 45' ' ' VAL . 0.4 OUTLIER -53.92 -51.65 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.989 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.3 m -58.6 -36.51 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 109.982 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.679 ' HB2' HG21 ' A' ' 5' ' ' VAL . 73.4 t90 -61.16 -48.18 82.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 107.994 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' ' 35' ' ' MET . 6.6 mt -60.77 -63.18 1.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.53 -34.91 1.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.47 -38.26 58.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 38' ' ' LEU . 21.2 mm-40 -74.57 -27.77 60.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 110.315 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.88 68.38 0.9 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -131.79 172.93 11.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 0.779 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -92.32 86.57 5.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 109.603 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.908 HG12 HD11 ' A' ' 82' ' ' ILE . 86.6 t -78.14 114.08 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.905 ' CG2' HD12 ' A' ' 97' ' ' ILE . 2.8 p -141.95 119.94 8.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.698 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -156.66 -172.45 23.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.175 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.989 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.45 164.04 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.446 0.733 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -123.2 131.79 53.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 110.273 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.851 HD21 ' HB3' ' A' ' 89' ' ' PHE . 1.5 mm? -99.54 73.34 1.83 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.783 ' HB3' ' HB3' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -152.58 135.79 15.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.005 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -98.36 -46.85 5.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.94 -41.17 87.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.783 ' HB3' ' HB3' ' A' ' 51' ' ' SER . . . -64.98 -33.94 77.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.604 HG13 ' CE2' ' A' ' 59' ' ' PHE . 0.9 OUTLIER -64.8 -51.88 61.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' HG12 ' A' ' 55' ' ' VAL . 1.2 mm-40 -60.97 -42.6 98.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.271 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 30.9 ttt85 -62.08 -38.14 87.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -65.38 -41.72 93.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.621 ' CE1' ' HB2' ' A' ' 77' ' ' TYR . 3.8 m-30 -72.58 -26.68 61.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.15 -37.55 28.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -70.07 -42.74 72.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -82.45 -34.83 27.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.55 36.85 28.68 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.453 1.096 . . . . 0.0 111.021 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.43 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 19.4 mt-10 76.24 149.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 0.0 110.326 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.0 OUTLIER 165.67 -51.74 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.268 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.608 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.07 -172.64 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -91.02 106.83 18.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.635 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.427 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 14.1 mm -100.79 128.47 52.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.666 HG22 ' CG1' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -128.15 153.71 46.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.44 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 86.8 p -112.78 99.13 7.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.429 ' HB3' ' CE1' ' A' ' 90' ' ' PHE . 1.5 mm-40 -89.62 85.34 6.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.41 -91.66 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 110.982 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.09 -8.66 12.41 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 88' ' ' ASP . 40.2 m-85 -102.8 173.25 6.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.569 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 7.9 tttt -128.73 161.83 28.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.666 ' CG1' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -142.7 110.67 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.661 ' C ' ' CD1' ' A' ' 77' ' ' TYR . 0.0 OUTLIER -110.62 102.31 10.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -103.09 139.36 38.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.508 ' HB1' ' HD2' ' A' ' 80' ' ' PRO . . . -109.78 165.21 13.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.088 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.508 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.2 Cg_endo -75.02 -43.8 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.559 1.82 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.95 -57.15 21.22 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.908 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -117.32 162.03 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.661 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -103.02 57.17 0.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.666 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -112.23 124.47 68.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.989 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -105.85 100.21 9.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.007 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.519 ' SG ' HG23 ' A' ' 55' ' ' VAL . 5.0 t -70.11 140.16 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.302 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.569 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 134.35 -100.07 0.36 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.588 ' HB2' ' CD1' ' A' ' 74' ' ' PHE . 11.5 t70 -128.42 164.25 23.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.851 ' HB3' HD21 ' A' ' 50' ' ' LEU . 1.7 t80 -122.65 99.71 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.751 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.3 OUTLIER 174.61 68.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -169.06 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 1.037 ' C ' HD13 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -77.99 167.82 20.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.918 ' O ' HG23 ' A' ' 97' ' ' ILE . 2.4 m -113.98 86.76 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.153 . . . . 0.0 110.424 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.856 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -50.32 -14.99 0.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 127' ' ' LEU . 40.1 ttt180 -83.11 -43.18 16.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.088 . . . . 0.0 110.324 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -74.46 -23.01 58.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.991 HD13 HD21 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -92.8 -36.83 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.103 . . . . 0.0 109.349 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.733 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -76.64 -68.02 1.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.71 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 6.3 p80 53.06 -72.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.772 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 14.6 p -141.14 137.24 32.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 108.316 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.059 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 144.53 -111.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.108 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -164.68 -175.43 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.535 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -159.53 125.15 4.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 111.045 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.863 ' CE2' HD13 ' A' ' 137' ' ' ILE . 46.0 t80 -103.85 126.86 51.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.626 ' CB ' HD12 ' A' ' 136' ' ' LEU . 29.0 t0 -113.55 145.81 40.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.52 171.72 7.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.249 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.591 ' HB1' ' CD1' ' A' ' 110' ' ' ILE . . . -53.04 100.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.438 ' HB3' ' NH2' ' A' ' 117' ' ' ARG . . . -130.28 -49.72 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.907 ' HE2' HD21 ' A' ' 158' ' ' LEU . 0.0 OUTLIER -59.82 -34.99 73.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.723 HG21 ' HB ' ' A' ' 138' ' ' THR . 0.2 OUTLIER -62.58 -14.8 13.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -94.12 -40.46 10.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 1.009 HD23 ' HG2' ' A' ' 116' ' ' MET . 5.9 mp -88.65 162.07 40.1 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.612 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -74.98 -153.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.501 1.79 . . . . 0.0 110.953 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.446 ' HB1' ' HE1' ' A' ' 157' ' ' TRP . . . -85.24 -68.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.568 ' O ' ' HB2' ' A' ' 118' ' ' GLU . 0.9 OUTLIER -40.32 -55.17 2.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 1.009 ' HG2' HD23 ' A' ' 112' ' ' LEU . 1.3 tpt -51.34 -58.97 4.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 1.04 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -53.48 -32.88 52.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 0.6 OUTLIER -61.42 -53.56 55.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -68.97 -20.88 64.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.282 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.465 ' OH ' HD21 ' A' ' 28' ' ' LEU . 6.3 t80 -76.94 -48.43 18.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 1.04 HG13 ' O ' ' A' ' 117' ' ' ARG . 2.6 m -64.62 -43.53 96.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.546 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 2.4 pt20 -61.84 -50.34 72.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.546 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 1.8 m-70 -59.89 -36.35 76.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.719 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.3 OUTLIER -66.33 -64.72 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.536 ' HA ' ' HB2' ' A' ' 128' ' ' MET . 0.0 OUTLIER -50.33 -24.72 3.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.361 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -70.35 -61.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.768 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.1 OUTLIER -81.47 7.2 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.313 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.719 ' CG ' HD13 ' A' ' 124' ' ' LEU . 2.2 mmt -76.1 176.62 3.11 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.147 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.71 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.4 Cg_endo -75.03 -168.4 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -102.42 -45.17 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.72 97.57 3.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -149.87 152.01 34.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 108.304 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.797 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -97.11 108.62 21.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.966 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.534 ' CA ' ' CD1' ' A' ' 103' ' ' PHE . . . -86.76 151.5 24.06 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.901 HD13 HG22 ' A' ' 197' ' ' VAL . 54.1 tp -158.2 110.87 2.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 109.347 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.783 ' HB3' ' CE2' ' A' ' 196' ' ' TYR . 0.8 OUTLIER -100.75 147.23 26.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.863 HD13 ' CE2' ' A' ' 104' ' ' TYR . 2.5 mp -123.73 106.07 16.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.738 ' CG2' HD21 ' A' ' 136' ' ' LEU . 32.2 p -110.08 172.62 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 110.392 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 139' ' ' LEU . 0.0 OUTLIER -140.13 172.89 12.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 141' ' ' TYR . 4.9 tt0 -126.35 -76.05 0.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.583 ' CD2' ' HA ' ' A' ' 191' ' ' MET . 0.4 OUTLIER -23.13 -77.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.957 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.792 ' HB3' HD12 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -28.27 146.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 142' ' ' ASP . 2.4 pp0? 160.74 -21.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.589 ' O ' ' HB3' ' A' ' 145' ' ' LEU . . . -129.2 45.28 2.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.981 HD21 ' HG ' ' A' ' 188' ' ' LEU . 0.0 OUTLIER 175.86 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.123 . . . . 0.0 109.241 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.792 HD12 ' HB3' ' A' ' 142' ' ' ASP . 0.5 OUTLIER -86.92 153.45 21.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.53 ' H ' HD23 ' A' ' 146' ' ' LEU . 10.4 pt-20 -57.16 110.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.532 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 68.29 148.11 0.18 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.533 1.146 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.469 ' HA ' ' HA ' ' A' ' 143' ' ' GLN . 18.4 Cg_endo -74.9 109.8 2.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.476 1.777 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.58 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.4 Cg_endo -75.01 113.35 3.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.45 1.763 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.559 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.4 t80 -92.39 81.78 4.91 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.0 OUTLIER -25.6 97.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.608 HG11 ' HG3' ' A' ' 109' ' ' MET . 9.3 p -70.86 125.96 92.08 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.595 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.0 Cg_endo -75.03 115.93 4.43 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.961 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -40.57 -32.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.595 HG22 ' HB2' ' A' ' 154' ' ' PRO . 3.1 t -56.09 -34.93 66.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.669 ' CH2' ' HB3' ' A' ' 117' ' ' ARG . 58.8 t90 -64.54 -58.83 5.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.907 HD21 ' HE2' ' A' ' 109' ' ' MET . 1.4 mt -52.35 -28.03 17.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.713 ' O ' ' CB ' ' A' ' 163' ' ' SER . 1.9 t-80 -83.99 -22.25 31.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.638 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.6 OUTLIER -83.72 -33.94 25.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.687 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.31 -62.97 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.736 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.62 5.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.713 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 33.1 t -97.71 91.56 5.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.55 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 159.27 54.31 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.475 1.109 . . . . 0.0 111.011 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.746 ' O ' HG22 ' A' ' 201' ' ' VAL . 7.1 m-20 152.31 -21.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 0.743 . . . . 0.0 109.335 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.736 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.85 130.01 17.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 108.011 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 3.5 mt-10 -82.27 90.1 6.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.581 ' HA ' ' O ' ' A' ' 197' ' ' VAL . 1.7 m -69.95 157.78 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 196' ' ' TYR . 0.5 OUTLIER -157.42 139.05 13.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.656 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.8 OUTLIER -71.63 149.87 45.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.965 HG11 HG23 ' A' ' 197' ' ' VAL . 0.2 OUTLIER -171.19 169.67 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.568 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 86.21 -151.95 25.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.588 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . 166.21 -174.05 41.74 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.522 ' O ' ' CB ' ' A' ' 175' ' ' ASP . 1.9 pt20 -101.86 163.51 12.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . 0.522 ' CB ' ' O ' ' A' ' 174' ' ' GLN . 9.2 t0 84.21 -9.8 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 176' ' ' THR . 9.0 t -107.24 74.17 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 1.056 ' O ' HD22 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -90.95 -19.52 23.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -77.47 14.64 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 177' ' ' LEU . 11.0 t -99.98 -19.87 16.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.982 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . 0.432 ' HB2' ' OE1' ' A' ' 193' ' ' GLU . 43.7 t -118.7 160.58 21.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -92.74 -32.38 14.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -46.37 -24.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.966 ' HA3' HD21 ' A' ' 177' ' ' LEU . . . -71.93 -49.8 21.09 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 184' ' ' LEU . 1.3 mm? -72.24 -15.67 61.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 0.758 . . . . 0.0 109.249 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 -57.79 3.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.712 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -74.72 -40.55 61.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 101.41 68.71 0.83 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.981 ' HG ' HD21 ' A' ' 145' ' ' LEU . 3.8 mp -110.22 -41.67 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 0.733 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 188' ' ' LEU . 4.8 pt-20 50.42 24.11 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 168.34 108.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.66 ' CE ' HD23 ' A' ' 177' ' ' LEU . 1.1 ptt? -172.17 144.85 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.499 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.3 m-20 -66.85 134.71 52.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.588 ' O ' ' O ' ' A' ' 173' ' ' GLY . 2.1 tt0 -124.77 115.24 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.291 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.499 ' O ' ' OG1' ' A' ' 138' ' ' THR . 0.1 OUTLIER -103.09 122.62 45.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.588 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.698 HG22 HG13 ' A' ' 137' ' ' ILE . 57.8 t -114.38 149.9 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 1.215 ' CE1' HD22 ' A' ' 198' ' ' LEU . 0.1 OUTLIER -147.87 118.2 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.965 HG23 HG11 ' A' ' 171' ' ' VAL . 1.4 t -82.54 167.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 1.215 HD22 ' CE1' ' A' ' 196' ' ' TYR . 0.2 OUTLIER -163.13 110.41 1.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -76.25 100.35 5.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.6 101.37 1.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 165' ' ' ASN . 35.3 m . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 2' ' ' GLN . 2.7 m80 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 1' ' ' HIS . 6.1 mp0 -37.83 -73.13 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.09 -77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -140.68 84.66 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.513 HG11 ' CD1' ' A' ' 37' ' ' TRP . 1.5 p -131.74 143.71 39.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.556 ' HA ' ' CB ' ' A' ' 179' ' ' SER . 6.2 m-80 -33.84 103.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.65 -42.81 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.03 -41.63 97.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.751 ' C ' HD13 ' A' ' 9' ' ' LEU . 1.6 tm? -56.29 -65.77 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.541 ' O ' ' CB ' ' A' ' 14' ' ' SER . 3.9 pp0? -57.82 -28.3 63.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -72.27 -80.54 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.482 ' CE1' HG11 ' A' ' 197' ' ' VAL . 40.2 m-85 -44.16 -47.12 9.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 1.034 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.9 t-105 -58.28 -55.39 35.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 108.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 8.0 t -46.7 -34.81 5.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.999 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.0 t -85.05 -49.46 8.26 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.101 . . . . 0.0 109.993 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.13 -52.64 5.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.9 t30 61.39 37.96 16.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.595 HG13 ' CE2' ' A' ' 43' ' ' TYR . 1.1 p -51.94 150.48 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.817 ' CG1' ' HB2' ' A' ' 22' ' ' ALA . 7.8 p -34.83 142.48 0.24 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.539 ' HD2' ' CG2' ' A' ' 19' ' ' VAL . 18.3 Cg_endo -75.03 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -2.95 18.32 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.002 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -43.63 156.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 0.797 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.923 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 4.2 mmt85 -80.89 119.15 23.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.755 HG21 ' HG ' ' A' ' 38' ' ' LEU . 41.5 t -102.03 94.36 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.825 ' HG ' ' HB1' ' A' ' 94' ' ' ALA . 2.9 tm? -79.35 139.62 37.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.805 HG12 ' HB3' ' A' ' 104' ' ' TYR . 33.7 m -148.14 101.76 3.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.986 ' O ' HD22 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.98 137.92 22.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.5 1.79 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.986 HD22 ' O ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER 24.34 54.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HB3' ' CE ' ' A' ' 35' ' ' MET . 0.5 OUTLIER -80.4 -35.29 35.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 108.306 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.494 ' O ' ' O ' ' A' ' 31' ' ' LYS . . . 69.39 57.97 6.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.129 . . . . 0.0 111.046 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' O ' ' A' ' 30' ' ' GLY . 0.5 OUTLIER 35.21 94.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 0.78 . . . . 0.0 109.304 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 75.8 m -118.32 169.06 10.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.045 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 179' ' ' SER . 0.0 OUTLIER -55.59 -30.2 60.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.515 ' O ' HD22 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -56.36 -55.7 30.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.607 ' SD ' HG21 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -62.27 -48.73 78.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.98 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.7 m -54.12 -38.58 65.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.953 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.569 ' CH2' ' HG3' ' A' ' 41' ' ' GLN . 78.9 t90 -66.98 -43.51 82.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.755 ' HG ' HG21 ' A' ' 24' ' ' VAL . 0.4 OUTLIER -57.69 -45.8 85.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 t -61.98 -39.27 91.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.34 -30.09 74.97 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.569 ' HG3' ' CH2' ' A' ' 37' ' ' TRP . 18.8 mm-40 -81.02 -37.8 28.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 110.271 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.86 66.21 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.022 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.595 ' CE2' HG13 ' A' ' 18' ' ' VAL . 8.5 m-85 -132.26 170.97 14.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.48 ' O ' HG12 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -83.63 78.52 9.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.951 HG12 HD11 ' A' ' 82' ' ' ILE . 85.0 t -67.98 113.23 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.781 HG11 ' CD1' ' A' ' 97' ' ' ILE . 1.3 p -137.47 133.5 46.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.724 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -173.32 -172.75 39.1 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.475 1.109 . . . . 0.0 111.004 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.965 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -143.68 167.26 22.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.696 ' CD ' HD12 ' A' ' 84' ' ' ILE . 0.3 OUTLIER -126.13 125.82 43.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.864 HD23 HD12 ' A' ' 28' ' ' LEU . 0.7 OUTLIER -88.41 66.12 8.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.665 ' HB2' ' HB3' ' A' ' 54' ' ' ALA . 11.0 m -152.02 134.4 15.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.018 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' O ' HG22 ' A' ' 55' ' ' VAL . 0.2 OUTLIER -89.08 -62.97 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.34 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -51.95 -27.24 12.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.665 ' HB3' ' HB2' ' A' ' 51' ' ' SER . . . -65.91 -48.67 70.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 51' ' ' SER . 0.7 OUTLIER -60.17 -40.9 84.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.64 -43.97 95.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.566 ' HG3' ' N ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -61.09 -35.86 78.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.167 . . . . 0.0 110.342 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.566 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -70.1 -39.82 75.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.631 ' CZ ' HD12 ' A' ' 68' ' ' ILE . 3.1 m-30 -71.38 -26.44 62.78 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -83.25 -36.13 24.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.444 1.09 . . . . 0.0 110.42 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -75.12 -42.17 56.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.7 mtt-85 -84.33 -35.85 22.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 80.0 38.62 18.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.475 ' O ' ' CB ' ' A' ' 65' ' ' GLN . 18.1 mt-10 74.7 153.25 0.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 0.758 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.53 ' N ' ' CD ' ' A' ' 66' ' ' PRO . 0.4 OUTLIER 161.79 -49.65 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.616 ' CG ' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.02 -171.03 0.87 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.499 1.789 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -95.22 110.0 22.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.433 1.083 . . . . 0.0 109.603 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.631 HD12 ' CZ ' ' A' ' 59' ' ' PHE . 34.0 mm -93.91 132.39 38.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -131.67 156.5 45.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.9 p -103.84 138.06 40.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -147.01 87.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.304 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.32 -118.22 11.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -95.54 23.15 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.362 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.684 ' CG ' ' HB3' ' A' ' 88' ' ' ASP . 95.9 m-85 -139.82 173.13 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.692 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.7 OUTLIER -124.86 175.88 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.773 HG13 ' HB2' ' A' ' 85' ' ' TRP . 70.1 t -142.81 97.89 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.699 ' O ' ' HA ' ' A' ' 85' ' ' TRP . 0.0 OUTLIER -105.26 101.1 10.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 111.023 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 84' ' ' ILE . . . -104.18 141.46 36.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' A' ' 82' ' ' ILE . . . -109.38 162.05 21.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.439 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 18.1 Cg_endo -75.0 -38.46 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.476 1.777 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -63.42 -54.37 32.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.951 HD11 HG12 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -118.46 158.39 19.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.641 ' N ' HD13 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -97.58 48.85 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.698 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.3 OUTLIER -104.22 121.75 56.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.965 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -109.54 107.99 18.29 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' A' ' 55' ' ' VAL . 1.7 t -73.92 144.13 45.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.311 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.692 ' HA3' ' O ' ' A' ' 75' ' ' LYS . . . 127.3 -99.98 0.54 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.46 1.1 . . . . 0.0 111.041 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.684 ' HB3' ' CG ' ' A' ' 74' ' ' PHE . 7.3 p-10 -125.37 163.39 22.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 0.78 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.756 ' HA ' ' CH2' ' A' ' 85' ' ' TRP . 0.5 OUTLIER -121.71 176.63 5.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 0.1 OUTLIER 79.6 54.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 111.041 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -172.68 33.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 92' ' ' LEU . 0.0 OUTLIER -139.76 16.52 2.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.947 HG22 ' HG2' ' A' ' 95' ' ' ARG . 0.2 OUTLIER 35.74 77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.848 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -61.38 -11.16 9.1 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.947 ' HG2' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -81.59 -41.15 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.412 ' N ' ' CG ' ' A' ' 95' ' ' ARG . 0.4 OUTLIER -76.55 -40.15 50.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.112 . . . . 0.0 109.355 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.979 HD13 ' O ' ' A' ' 97' ' ' ILE . 0.0 OUTLIER -79.03 -37.13 19.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' O ' ' HG3' ' A' ' 23' ' ' ARG . . . -72.77 -67.98 1.7 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.609 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 7.2 t-160 67.13 -69.71 0.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 0.75 . . . . 0.0 109.604 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.774 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 29.7 p -154.98 148.64 25.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 1.002 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 146.8 -106.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 1.034 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -163.99 163.99 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.604 ' CE1' ' HB2' ' A' ' 105' ' ' ASP . 0.0 OUTLIER -143.82 116.23 8.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 111.021 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.805 ' HB3' HG12 ' A' ' 26' ' ' VAL . 22.0 t80 -94.25 131.61 39.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.604 ' HB2' ' CE1' ' A' ' 103' ' ' PHE . 37.5 t0 -120.41 128.47 53.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 105' ' ' ASP . 0.4 OUTLIER -101.64 170.14 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.112 . . . . 0.0 110.306 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.88 ' HB2' HD21 ' A' ' 139' ' ' LEU . . . -41.29 101.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.536 ' O ' ' HB3' ' A' ' 111' ' ' ALA . . . -146.63 -51.31 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.623 ' SD ' ' CD1' ' A' ' 120' ' ' TYR . 2.0 mmt -64.56 -35.39 80.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.866 HG22 ' CG2' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -64.23 -12.62 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 108' ' ' ALA . . . -77.38 -52.92 8.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.632 HD12 ' H ' ' A' ' 112' ' ' LEU . 0.0 OUTLIER -78.45 166.7 41.03 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.4 Cg_endo -75.02 -152.57 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -77.0 -66.21 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 114' ' ' ALA . 0.2 OUTLIER -39.99 -63.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 1.1 tpt -51.6 -46.55 63.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 1.004 ' O ' HG13 ' A' ' 121' ' ' VAL . 0.0 OUTLIER -52.68 -45.42 66.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.261 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.722 ' HG2' HG21 ' A' ' 161' ' ' VAL . 4.7 mt-10 -62.09 -56.3 20.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HG2' ' HE2' ' A' ' 116' ' ' MET . 0.0 OUTLIER -55.68 -23.05 26.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.623 ' CD1' ' SD ' ' A' ' 109' ' ' MET . 1.3 t80 -80.39 -53.37 6.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 1.004 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.5 m -59.58 -38.69 76.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.155 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.567 ' HG3' ' N ' ' A' ' 123' ' ' HIS . 8.9 pt20 -69.21 -52.07 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.598 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 8.6 m170 -54.45 -42.46 70.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.558 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.695 HD22 ' HG2' ' A' ' 128' ' ' MET . 0.2 OUTLIER -59.91 -63.61 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.771 ' OE2' ' CG ' ' A' ' 166' ' ' TRP . 3.9 mt-10 -54.02 -19.47 4.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -73.08 -51.37 18.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -90.85 5.0 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.695 ' HG2' HD22 ' A' ' 124' ' ' LEU . 7.3 mmt -71.62 173.78 4.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 128' ' ' MET . 18.3 Cg_endo -75.01 -166.63 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.466 1.772 . . . . 0.0 110.988 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.18 -45.91 5.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.304 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.706 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -136.8 103.0 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.61 ' HB2' ' C ' ' A' ' 101' ' ' ALA . 0.5 OUTLIER -154.04 168.9 24.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.547 ' H ' ' HA ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -113.7 110.3 19.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.98 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -83.65 153.09 29.62 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.527 1.142 . . . . 0.0 111.033 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.609 HD11 ' CG1' ' A' ' 195' ' ' VAL . 0.3 OUTLIER -145.78 99.05 3.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.484 ' CD2' ' CG ' ' A' ' 105' ' ' ASP . 0.2 OUTLIER -87.36 147.5 25.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.767 HG13 HG22 ' A' ' 195' ' ' VAL . 3.4 mp -132.64 109.31 14.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.891 ' C ' HD23 ' A' ' 139' ' ' LEU . 24.4 p -115.67 178.32 4.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.907 HD12 ' CG ' ' A' ' 142' ' ' ASP . 0.1 OUTLIER -150.63 173.72 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 141' ' ' TYR . 2.7 tm-20 -135.01 -80.49 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.557 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.6 OUTLIER -22.95 -69.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.907 ' CG ' HD12 ' A' ' 139' ' ' LEU . 0.0 OUTLIER -32.93 147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 176.51 -33.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.482 ' C ' HD12 ' A' ' 145' ' ' LEU . . . -129.04 60.76 1.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.137 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.897 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 170.47 -21.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.694 ' HB2' HD21 ' A' ' 188' ' ' LEU . 0.1 OUTLIER -99.61 126.01 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.654 ' N ' HD12 ' A' ' 146' ' ' LEU . 25.7 mt-10 -45.39 101.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.5 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 88.26 140.66 7.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.44 3.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.539 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.1 Cg_endo -75.01 135.94 19.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.413 1.744 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.509 ' O ' ' C ' ' A' ' 152' ' ' SER . 2.8 t80 -105.61 88.33 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . 0.509 ' C ' ' O ' ' A' ' 151' ' ' PHE . 0.9 OUTLIER -30.2 117.78 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.866 ' CG2' HG22 ' A' ' 110' ' ' ILE . 1.7 t -104.12 117.87 58.4 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 157' ' ' TRP . 18.1 Cg_endo -75.08 122.4 7.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.481 1.779 . . . . 0.0 110.967 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.578 ' HG3' ' CE1' ' A' ' 196' ' ' TYR . 3.0 mp0 -40.85 -26.93 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 154' ' ' PRO . 0.6 OUTLIER -62.19 -45.13 94.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.398 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.688 ' CZ2' HG11 ' A' ' 161' ' ' VAL . 33.4 t90 -63.82 -51.94 62.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 108.016 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.777 HD23 HG11 ' A' ' 168' ' ' VAL . 0.3 OUTLIER -54.94 -31.67 60.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.61 ' O ' ' CB ' ' A' ' 163' ' ' SER . 20.2 t60 -85.13 -17.89 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.71 ' HG2' HG12 ' A' ' 161' ' ' VAL . 0.1 OUTLIER -82.58 -37.34 25.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.722 HG21 ' HG2' ' A' ' 118' ' ' GLU . 0.1 OUTLIER -113.98 -59.3 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.711 ' HE1' ' CH2' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -56.9 6.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.679 ' H ' ' C ' ' A' ' 161' ' ' VAL . 24.6 t -104.97 100.47 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.645 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 163.28 54.02 0.02 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.15 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.645 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 27.4 m-20 143.91 -18.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.771 ' CG ' ' OE2' ' A' ' 125' ' ' GLU . 0.1 OUTLIER -145.72 127.4 15.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 108.019 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . 0.768 ' O ' ' HA ' ' A' ' 198' ' ' LEU . 2.8 mt-10 -89.56 97.99 11.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 198' ' ' LEU . 47.5 t -76.2 139.01 19.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.868 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -125.4 142.63 51.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.441 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.573 ' C ' HG12 ' A' ' 171' ' ' VAL . 0.0 OUTLIER -65.7 141.71 58.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.592 ' CG2' ' N ' ' A' ' 172' ' ' GLY . 0.2 OUTLIER -171.41 169.97 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.592 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.34 -162.05 16.99 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -172.27 -166.27 30.63 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 1.4 pt20 -118.29 148.56 42.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.748 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . 0.45 ' HA ' ' N ' ' A' ' 191' ' ' MET . 3.6 m-20 70.28 7.73 6.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.828 HG23 ' O ' ' A' ' 176' ' ' THR . 5.5 t -117.08 74.23 0.91 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.861 HD23 ' HG3' ' A' ' 191' ' ' MET . 3.9 pp -91.2 -22.88 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.554 ' N ' HD12 ' A' ' 177' ' ' LEU . 11.0 p-80 -41.47 -26.86 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.547 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.556 ' CB ' ' HA ' ' A' ' 6' ' ' ASN . 17.3 m -59.28 -55.43 34.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 96.0 p -86.61 159.55 19.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 110.004 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 183' ' ' GLY . . . -85.72 -50.08 7.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.401 ' HD3' HD11 ' A' ' 146' ' ' LEU . 1.0 OUTLIER -37.89 -31.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.459 ' O ' HD12 ' A' ' 188' ' ' LEU . . . -60.39 -55.46 29.95 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.415 1.072 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.652 HD22 ' H ' ' A' ' 184' ' ' LEU . 1.3 mm? -71.53 -18.45 62.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.36 -31.97 58.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 0.889 ' HB1' ' O ' ' A' ' 145' ' ' LEU . . . -96.71 -40.0 9.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 86.08 76.5 1.23 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.717 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.4 OUTLIER -111.69 1.91 16.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 0.76 . . . . 0.0 109.336 179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 189' ' ' GLU . 0.7 OUTLIER 33.3 66.76 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 110.321 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.682 ' H ' HD21 ' A' ' 177' ' ' LEU . 40.8 mtt180 80.75 123.11 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.861 ' HG3' HD23 ' A' ' 177' ' ' LEU . 0.0 OUTLIER -160.61 155.17 23.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.972 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.475 ' HB2' ' CG ' ' A' ' 141' ' ' TYR . 0.5 OUTLIER -50.75 104.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.64 ' O ' ' O ' ' A' ' 173' ' ' GLY . 0.4 OUTLIER -122.78 109.63 14.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.273 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.413 ' O ' ' O ' ' A' ' 138' ' ' THR . 1.6 m80 -92.05 157.97 16.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 0.767 HG22 HG13 ' A' ' 137' ' ' ILE . 20.1 t -147.72 155.07 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.643 ' HA ' ' O ' ' A' ' 169' ' ' THR . 5.5 m-85 -147.17 116.2 6.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.868 HG12 HG22 ' A' ' 169' ' ' THR . 7.7 p -94.3 107.58 19.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.952 ' HB3' HG22 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -99.86 152.69 19.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.513 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 2.2 mt-10 -112.56 100.41 8.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.231 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.595 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -66.1 93.56 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 165' ' ' ASN . 19.5 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.422 ' C ' ' OE1' ' A' ' 2' ' ' GLN . 78.5 m-70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.837 ' O ' HG12 ' A' ' 5' ' ' VAL . 13.4 pm0 -179.83 -30.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.459 ' N ' ' HG2' ' A' ' 2' ' ' GLN . 1.2 m -37.69 -30.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -140.42 84.85 1.97 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.294 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.837 HG12 ' O ' ' A' ' 2' ' ' GLN . 1.7 p -131.73 78.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.541 ' O ' ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 33.05 95.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.69 -39.38 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.815 ' OD2' HG21 ' A' ' 195' ' ' VAL . 3.1 p30 -65.07 -34.22 77.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.682 ' C ' HD13 ' A' ' 9' ' ' LEU . 2.4 tm? -67.5 -65.46 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.507 ' O ' ' CB ' ' A' ' 14' ' ' SER . 0.2 OUTLIER -55.95 -28.08 55.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 10' ' ' GLN . 18.5 tp60 -65.17 -80.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 16' ' ' LEU . 21.7 m-85 -46.13 -54.77 8.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.793 ' CH2' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t-105 -47.79 -50.56 25.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 107.979 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' GLN . 30.3 t -61.23 -30.84 70.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -96.9 11.09 37.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 12' ' ' TYR . 6.2 mt -106.87 -58.67 1.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 69.88 36.15 2.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.296 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 19' ' ' VAL . 57.4 t -46.79 148.25 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 22' ' ' ALA . 2.0 p -36.41 145.51 0.24 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.797 ' HD2' HG23 ' A' ' 19' ' ' VAL . 18.2 Cg_endo -75.01 101.38 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.6 -1.59 26.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.541 1.151 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.983 ' HB1' ' CB ' ' A' ' 101' ' ' ALA . . . -44.16 155.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 0.757 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.974 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 4.7 mmt85 -79.82 114.85 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.772 HG11 ' CD2' ' A' ' 38' ' ' LEU . 32.5 t -107.85 114.68 47.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.815 HD22 ' CE ' ' A' ' 128' ' ' MET . 6.9 tp -86.35 152.99 22.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 ' HB2' ' A' ' 29' ' ' CYS . 41.2 t -137.69 83.95 23.52 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.667 ' CD ' ' O ' ' A' ' 104' ' ' TYR . 18.1 Cg_endo -75.02 115.28 4.24 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.978 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD22 ' HB2' ' A' ' 50' ' ' LEU . 0.0 OUTLIER 37.36 29.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.712 ' HB2' HG13 ' A' ' 26' ' ' VAL . 62.0 m -104.3 -25.71 12.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.543 ' C ' ' O ' ' A' ' 29' ' ' CYS . . . -24.42 90.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' ' 29' ' ' CYS . 5.5 ttmt -108.32 -96.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.325 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 36' ' ' SER . 26.0 p -173.24 -55.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.115 . . . . 0.0 109.962 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.436 ' HB3' ' HB ' ' A' ' 5' ' ' VAL . 12.0 mm-40 -72.45 -35.19 68.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.4 -58.01 10.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.497 ' HB2' HG11 ' A' ' 45' ' ' VAL . 11.5 ptm -69.93 -49.78 48.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 32' ' ' SER . 58.0 m -50.14 -31.49 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.981 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.579 ' HD1' HG11 ' A' ' 5' ' ' VAL . 9.2 t90 -76.94 -52.51 9.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 108.049 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.772 ' CD2' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.4 -66.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.245 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -57.65 -45.77 85.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.951 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -50.11 -23.43 5.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -92.82 -21.92 19.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 0.735 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' SER . . . 107.19 50.64 0.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -118.53 164.32 15.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -91.32 84.58 5.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.602 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.742 HG12 HD11 ' A' ' 82' ' ' ILE . 25.4 t -74.7 109.52 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.966 HG23 ' HB3' ' A' ' 83' ' ' GLU . 6.5 p -138.51 98.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.705 ' O ' ' CD1' ' A' ' 85' ' ' TRP . . . -146.25 -172.61 16.74 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.976 ' HB2' ' CE2' ' A' ' 85' ' ' TRP . . . -133.66 168.64 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 0.772 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.644 ' O ' ' N ' ' A' ' 51' ' ' SER . 0.0 OUTLIER -124.88 91.45 3.44 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.656 ' CD1' ' CZ ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -61.31 65.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.644 ' N ' ' O ' ' A' ' 49' ' ' GLU . 4.3 m -151.93 133.39 14.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.408 1.068 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 74' ' ' PHE . 4.2 mp0 -98.37 -43.08 7.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.96 96.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.09 -32.55 69.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.657 HG13 ' CZ ' ' A' ' 59' ' ' PHE . 1.1 t -59.61 -55.2 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' N ' HG12 ' A' ' 55' ' ' VAL . 59.4 mm-40 -62.97 -44.78 95.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 61' ' ' GLU . 5.7 tpt180 -59.75 -30.46 68.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.435 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 1.4 m-30 -71.87 -49.74 35.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.142 . . . . 0.0 111.018 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.657 ' CZ ' HG13 ' A' ' 55' ' ' VAL . 2.0 m-30 -62.14 -30.6 71.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -86.12 -26.56 25.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.419 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 57' ' ' ARG . 4.5 mm-40 -77.73 -33.76 52.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -96.81 -31.83 12.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.335 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.09 47.26 67.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.093 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -122.49 -42.57 2.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 0.729 . . . . 0.0 110.271 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 66.1 76.25 0.3 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.741 ' CG ' ' CE2' ' A' ' 77' ' ' TYR . 18.1 Cg_endo -75.01 -154.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.423 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -62.75 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.641 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 77' ' ' TYR . 23.9 mm -87.54 133.21 30.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.56 HG22 ' CG2' ' A' ' 76' ' ' VAL . 0.4 OUTLIER -135.08 170.5 15.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.405 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 69' ' ' THR . 90.2 p -121.57 120.17 34.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 74' ' ' PHE . 1.4 mm-40 -120.95 104.99 10.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.589 ' O ' ' CB ' ' A' ' 73' ' ' ASP . . . 42.06 58.33 3.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.139 . . . . 0.0 111.041 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.589 ' CB ' ' O ' ' A' ' 72' ' ' GLY . 12.1 t0 88.84 -47.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.656 ' CZ ' ' CD1' ' A' ' 50' ' ' LEU . 0.2 OUTLIER -61.61 174.34 0.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.972 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 0.4 OUTLIER -118.45 172.48 7.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.973 HG13 ' HB2' ' A' ' 85' ' ' TRP . 87.8 t -142.31 106.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.741 ' CE2' ' CG ' ' A' ' 66' ' ' PRO . 7.7 t80 -99.96 101.11 12.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 66' ' ' PRO . . . -112.3 120.08 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.26 155.88 38.35 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 104.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.46 1.768 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 137.26 -53.17 0.74 Allowed Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.883 HD12 ' HB ' ' A' ' 84' ' ' ILE . 0.0 OUTLIER -106.12 152.51 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.756 . . . . 0.0 109.312 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.966 ' HB3' HG23 ' A' ' 46' ' ' VAL . 0.1 OUTLIER -99.94 51.75 0.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.883 ' HB ' HD12 ' A' ' 82' ' ' ILE . 0.2 OUTLIER -108.45 112.15 39.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TRP . . . . . 0.976 ' CE2' ' HB2' ' A' ' 48' ' ' ALA . 0.0 OUTLIER -102.01 98.4 8.6 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 77' ' ' TYR . 0.4 OUTLIER -72.27 119.68 16.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 108.365 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.584 ' O ' ' CE1' ' A' ' 74' ' ' PHE . . . 150.09 -101.55 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.633 ' HB2' ' CG ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -103.59 163.63 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.67 ' HB2' ' HB3' ' A' ' 48' ' ' ALA . 1.4 t80 -144.01 88.03 1.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 0.2 OUTLIER 164.46 41.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -120.55 -33.51 3.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.794 ' CD2' HD13 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -92.51 -161.81 0.87 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.6 m -130.23 94.24 3.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.383 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.999 ' HB3' HD13 ' A' ' 127' ' ' LEU . . . -55.94 -12.28 1.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -78.92 -43.71 24.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -75.0 -44.18 49.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 1.155 . . . . 0.0 109.358 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.794 HD13 ' CD2' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -74.56 -30.06 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.53 ' O ' ' N ' ' A' ' 100' ' ' CYS . . . -77.33 -74.51 0.98 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.749 ' N ' ' HB3' ' A' ' 129' ' ' PRO . 0.2 OUTLIER 62.91 -72.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 109.596 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.776 ' O ' ' HB2' ' A' ' 101' ' ' ALA . 9.0 t -152.14 142.85 22.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 108.257 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.983 ' CB ' ' HB1' ' A' ' 22' ' ' ALA . . . 149.38 -107.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.793 ' HB3' ' CH2' ' A' ' 13' ' ' TRP . . . -162.1 166.56 25.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.692 ' O ' ' HA2' ' A' ' 134' ' ' GLY . 0.0 OUTLIER -150.94 118.91 6.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . 0.667 ' O ' ' CD ' ' A' ' 27' ' ' PRO . 6.1 t80 -84.87 169.19 14.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.545 ' HB3' HD23 ' A' ' 136' ' ' LEU . 9.8 t0 -161.43 137.68 8.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.585 ' N ' ' SG ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -108.77 170.59 7.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.487 ' C ' HD12 ' A' ' 110' ' ' ILE . . . -59.78 95.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.67 -46.44 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.467 ' HG2' ' N ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -66.56 -22.28 66.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.554 HG22 ' HB ' ' A' ' 153' ' ' VAL . 0.1 OUTLIER -71.64 -11.56 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.347 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.92 -55.09 3.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 116' ' ' MET . 0.1 OUTLIER -66.44 166.6 16.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' ' CB ' ' A' ' 116' ' ' MET . 18.2 Cg_endo -75.02 -176.9 3.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 115' ' ' ASP . . . -63.07 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ALA . 9.9 t0 -39.29 -55.74 1.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.573 ' CB ' ' HD2' ' A' ' 113' ' ' PRO . 34.4 tpp -59.68 -44.39 93.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.827 ' O ' HG13 ' A' ' 121' ' ' VAL . 44.2 mtp180 -54.01 -43.89 70.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.291 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.568 ' HG2' HG21 ' A' ' 161' ' ' VAL . 2.6 mt-10 -65.0 -43.25 93.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.563 ' O ' ' CD2' ' A' ' 123' ' ' HIS . 3.0 mmt180 -67.21 -26.13 66.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -75.62 -59.76 2.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.827 HG13 ' O ' ' A' ' 117' ' ' ARG . 1.9 m -55.76 -45.1 79.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.254 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.521 ' HA ' ' CG ' ' A' ' 125' ' ' GLU . 1.6 pt20 -62.5 -47.13 85.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.563 ' CD2' ' O ' ' A' ' 119' ' ' ARG . 5.8 m-70 -58.54 -38.09 77.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.591 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.724 HD13 ' CG ' ' A' ' 128' ' ' MET . 0.4 OUTLIER -68.21 -64.78 0.79 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.361 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.521 ' CG ' ' HA ' ' A' ' 122' ' ' GLN . 2.1 pp20? -50.52 -22.22 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -74.19 -57.89 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.999 HD13 ' HB3' ' A' ' 94' ' ' ALA . 0.2 OUTLIER -81.46 3.28 25.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 109.335 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.815 ' CE ' HD22 ' A' ' 25' ' ' LEU . 4.4 mmt -72.54 174.23 4.64 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.749 ' HB3' ' N ' ' A' ' 99' ' ' HIS . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 201' ' ' VAL . 6.2 tt0 -106.09 -41.57 5.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.708 ' O ' ' HA ' ' A' ' 100' ' ' CYS . . . -140.15 98.59 3.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' CYS . . . . . 0.581 ' O ' ' HB3' ' A' ' 200' ' ' ARG . 0.5 OUTLIER -151.51 157.58 42.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.618 ' O ' ' HB1' ' A' ' 102' ' ' ALA . 1.0 OUTLIER -100.92 107.84 19.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.692 ' HA2' ' O ' ' A' ' 103' ' ' PHE . . . -85.99 157.04 30.45 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.595 HD22 HG23 ' A' ' 197' ' ' VAL . 0.1 OUTLIER -150.05 104.04 3.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.057 HD22 ' N ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -101.49 135.9 42.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 1.057 ' N ' HD22 ' A' ' 136' ' ' LEU . 3.3 mm -114.35 134.31 57.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.956 ' O ' HD13 ' A' ' 139' ' ' LEU . 13.6 p -137.21 165.99 24.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.429 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.956 HD13 ' O ' ' A' ' 138' ' ' THR . 0.0 OUTLIER -130.44 168.11 17.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 141' ' ' TYR . 15.3 tt0 -131.88 -91.02 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . 0.543 ' C ' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -25.45 -76.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 146' ' ' LEU . 0.0 OUTLIER -30.63 145.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 178.0 -31.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.325 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -117.97 52.38 1.01 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 145' ' ' LEU . 0.0 OUTLIER 173.99 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 142' ' ' ASP . 0.1 OUTLIER -87.47 126.46 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.351 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . 0.566 ' N ' HD12 ' A' ' 146' ' ' LEU . 13.0 mt-10 -43.95 102.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.408 ' O ' ' HD3' ' A' ' 150' ' ' PRO . . . 84.04 126.65 1.35 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.466 1.104 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 112.53 3.58 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.451 ' HA ' HG12 ' A' ' 110' ' ' ILE . 18.3 Cg_endo -75.01 151.94 40.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.489 1.784 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' PHE . . . . . 0.445 ' CD1' ' O ' ' A' ' 151' ' ' PHE . 24.9 t80 -99.25 19.2 15.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' SER . . . . . . . . . . . . . 21.6 p 40.01 75.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.964 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.642 ' CG1' HG21 ' A' ' 138' ' ' THR . 11.1 p -63.44 117.47 34.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' PRO . . . . . 0.696 ' HB2' HG22 ' A' ' 156' ' ' THR . 18.4 Cg_endo -74.97 124.71 8.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 158' ' ' LEU . 0.5 OUTLIER -44.77 -38.43 4.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . 0.696 HG22 ' HB2' ' A' ' 154' ' ' PRO . 11.6 t -53.66 -37.06 62.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TRP . . . . . 0.649 ' CE2' HG11 ' A' ' 161' ' ' VAL . 71.1 t90 -62.98 -59.88 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 108.012 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LEU . . . . . 0.818 HD22 ' HE2' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -52.03 -25.98 9.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.718 ' O ' ' CB ' ' A' ' 163' ' ' SER . 8.3 t60 -84.23 -23.61 30.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.618 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . 0.603 ' CG ' HG12 ' A' ' 161' ' ' VAL . 1.4 ptp180 -84.32 -32.86 24.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' VAL . . . . . 0.695 ' C ' ' H ' ' A' ' 163' ' ' SER . 0.2 OUTLIER -114.04 -64.59 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.735 ' O ' ' CD1' ' A' ' 166' ' ' TRP . 0.0 OUTLIER -55.84 6.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 111.022 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.718 ' CB ' ' O ' ' A' ' 159' ' ' HIS . 40.3 t -99.81 100.14 11.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.541 ' O ' ' CB ' ' A' ' 165' ' ' ASN . . . 151.68 53.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 164' ' ' GLY . 0.9 OUTLIER 153.34 -22.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.328 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' TRP . . . . . 0.735 ' CD1' ' O ' ' A' ' 162' ' ' MET . 0.0 OUTLIER -145.88 125.69 13.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 108.031 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -79.3 100.71 7.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.895 ' HB ' ' CE1' ' A' ' 196' ' ' TYR . 1.0 OUTLIER -72.11 145.26 12.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.794 HG22 HG12 ' A' ' 197' ' ' VAL . 0.4 OUTLIER -143.83 139.6 29.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.415 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.475 ' C ' HG12 ' A' ' 171' ' ' VAL . 13.2 ptmt -67.42 142.04 56.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' VAL . . . . . 0.65 HG22 ' CG1' ' A' ' 195' ' ' VAL . 0.1 OUTLIER -169.47 171.4 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLY . . . . . 0.622 ' N ' ' CG2' ' A' ' 171' ' ' VAL . . . 102.36 -160.22 17.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLY . . . . . 0.585 ' O ' ' O ' ' A' ' 193' ' ' GLU . . . -165.15 169.05 39.56 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.541 ' HA ' ' HA ' ' A' ' 192' ' ' ASP . 10.6 pt20 -104.24 152.86 21.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.782 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 174' ' ' GLN . 0.5 OUTLIER 66.56 6.47 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 176' ' ' THR . 14.7 t -116.94 76.37 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' LEU . . . . . 0.655 HD21 ' H ' ' A' ' 190' ' ' ARG . 0.2 OUTLIER -82.27 -10.2 59.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' HIS . . . . . 0.426 ' N ' HD12 ' A' ' 177' ' ' LEU . 1.4 m80 -58.35 -25.24 61.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.442 ' CB ' ' OE2' ' A' ' 193' ' ' GLU . 3.1 m -56.51 -19.34 15.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 3.6 m -132.31 162.04 32.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' ALA . . . . . . . . . . . . . . . -81.79 -32.21 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 182' ' ' ARG . 4.2 ptp180 -48.19 -33.12 7.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' GLY . . . . . 0.488 ' HA2' HD13 ' A' ' 188' ' ' LEU . . . -55.33 -48.67 67.95 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.558 HD22 ' H ' ' A' ' 184' ' ' LEU . 0.7 OUTLIER -86.08 -14.92 42.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 0.754 . . . . 0.0 109.267 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 -22.83 47.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' ALA . . . . . 1.018 ' HB3' HD11 ' A' ' 188' ' ' LEU . . . -106.91 -40.06 5.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 90.11 70.5 1.23 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 1.018 HD11 ' HB3' ' A' ' 186' ' ' ALA . 0.1 OUTLIER -114.4 -33.2 5.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 0.755 . . . . 0.0 109.312 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' GLU . . . . . 0.752 ' O ' ' CB ' ' A' ' 190' ' ' ARG . 11.7 pt-20 44.68 62.43 2.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.752 ' CB ' ' O ' ' A' ' 189' ' ' GLU . 0.0 OUTLIER 126.56 97.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' MET . . . . . 0.753 ' HG3' HD22 ' A' ' 188' ' ' LEU . 15.1 mmt -151.79 155.24 37.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 174' ' ' GLN . 1.0 OUTLIER -76.21 106.64 7.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.585 ' O ' ' O ' ' A' ' 173' ' ' GLY . 25.7 tt0 -107.85 107.25 17.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' HIS . . . . . 0.474 ' O ' ' OG1' ' A' ' 138' ' ' THR . 10.7 m-70 -97.76 121.96 40.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.593 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' VAL . . . . . 1.023 HG22 HG23 ' A' ' 137' ' ' ILE . 9.5 t -109.04 153.57 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' TYR . . . . . 0.906 ' CE1' ' HG ' ' A' ' 198' ' ' LEU . 0.0 OUTLIER -146.06 114.47 6.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' VAL . . . . . 0.794 HG12 HG22 ' A' ' 169' ' ' THR . 0.3 OUTLIER -83.25 132.93 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.906 ' HG ' ' CE1' ' A' ' 196' ' ' TYR . 0.0 OUTLIER -119.44 100.28 7.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 166' ' ' TRP . 0.6 OUTLIER -75.84 98.18 4.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.267 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ARG . . . . . 0.581 ' HB3' ' O ' ' A' ' 132' ' ' CYS . 0.0 OUTLIER -68.04 104.85 1.86 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' ' 165' ' ' ASN . 31.4 m . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 stop_ save_